data_6rva_residue ############################ # Computer software used # ############################ save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 6rva _Structure_validation_residue.Date_analyzed 2019-09-27 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 ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.863 0.363 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 41.2 t -161.52 136.07 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.55 -147.57 18.58 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.32 84.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 110.544 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.77 -40.49 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.458 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -61.32 -46.04 91.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.982 0.42 . . . . 0.0 110.516 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.91 -41.61 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 0.0 110.662 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.75 -41.9 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.46 -41.88 99.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.32 -41.63 96.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.371 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.96 -50.46 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.91 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -68.75 -38.48 80.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.698 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 -170.33 32.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.04 -14.27 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.626 0.25 . . . . 0.0 110.785 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -60.42 -38.08 82.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.42 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.73 -172.61 27.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -156.86 168.64 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 -179.491 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.607 0.241 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.4 -47.55 91.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.56 -38.83 92.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.78 -50.66 71.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.332 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.9 m -71.64 -40.9 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.262 0.553 . . . . 0.0 111.18 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.41 -48.93 79.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.954 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.37 -71.53 0.5 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.005 0.431 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -81.25 162.48 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.477 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -89.18 101.29 13.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.257 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 136.07 33.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.54 151.93 42.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.57 -40.06 95.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.13 -47.79 84.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -64.47 -37.53 87.87 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.72 -33.61 70.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.43 -20.94 65.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.5 mtp -62.95 -34.09 76.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.772 0.32 . . . . 0.0 110.738 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.17 -10.26 59.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.8 m -75.6 162.03 28.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.358 -179.683 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.773 0.32 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -162.2 145.87 11.95 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.778 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.28 -128.75 44.65 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.03 79.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.654 0.264 . . . . 0.0 110.634 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.04 -42.47 98.53 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.464 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.8 -42.53 85.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.42 -44.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.11 -44.56 96.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.33 98.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -60.77 -43.52 97.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.21 -40.97 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.83 -50.15 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.14 -44.28 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -119.1 62.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.61 99.76 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -98.58 -40.01 8.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.18 -40.18 95.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 -176.68 44.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -156.7 163.32 39.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.64 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 pt . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.05 -45.33 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.22 -39.12 93.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.529 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.18 -51.18 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.255 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 93.9 m -71.35 -40.59 70.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.185 0.517 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.45 -48.02 83.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.917 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -85.83 -67.31 0.82 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.048 0.451 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -80.96 162.26 23.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.537 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.0 t -91.94 91.92 8.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.38 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -77.58 149.69 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.43 154.12 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.523 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.09 -37.38 86.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -57.59 -41.0 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -86.18 -18.45 32.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -63.43 -11.84 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.9 mtp -65.29 -37.03 85.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -77.49 -10.07 59.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.787 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -80.63 147.92 30.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 110.428 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 -179.627 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.3 mt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.231 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -165.1 151.16 9.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.767 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -131.8 52.23 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.68 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.695 0.283 . . . . 0.0 110.726 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.49 -42.07 95.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 110.209 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.35 -43.79 96.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.2 -47.19 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 0.0 110.92 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.87 -42.72 97.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.39 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.66 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.3 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.76 -41.96 95.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.319 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.46 -49.51 76.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.385 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.77 -46.89 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.75 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 79.0 m -76.52 -19.32 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.641 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.79 -153.6 44.12 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -17.6 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.657 0.265 . . . . 0.0 110.703 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -60.5 -38.02 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.65 -173.0 47.11 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -151.03 161.31 42.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.007 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.348 -179.837 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.9 -46.81 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.58 -39.9 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -50.38 72.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.174 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m -70.51 -41.13 73.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.935 0.398 . . . . 0.0 110.96 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.86 -48.19 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.746 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -87.11 -68.0 0.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.123 0.487 . . . . 0.0 110.668 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.6 167.47 20.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 71.8 m -94.94 84.56 4.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -69.31 144.73 53.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.475 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.02 145.52 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.986 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.23 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.46 -46.78 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.89 -37.0 84.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.994 0.426 . . . . 0.0 110.312 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.56 -33.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.429 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.86 -22.57 64.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 84.2 mmm -60.61 -34.57 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.745 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.29 6.94 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -74.77 165.76 24.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.829 0.347 . . . . 0.0 110.248 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.924 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.891 0.377 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -137.82 151.35 48.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.79 -152.01 20.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.44 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.74 0.305 . . . . 0.0 110.337 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.3 -41.91 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.82 -43.07 94.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.857 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.83 -42.26 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.744 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.33 -39.34 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.29 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.09 94.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.8 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -66.44 -38.64 87.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.09 -49.62 76.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.16 -46.58 93.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.7 -38.2 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.32 -130.44 48.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.68 -34.85 71.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.753 0.311 . . . . 0.0 110.615 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -61.74 -38.12 86.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 -168.01 18.65 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.83 159.72 41.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.674 0.273 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.61 -46.35 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.79 -37.02 86.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.714 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.41 -51.63 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.914 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -71.51 -41.02 69.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.988 0.423 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.6 -48.32 82.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.751 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -86.38 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -79.45 162.8 25.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.536 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -92.23 87.91 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.473 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -76.03 154.66 35.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -105.39 171.22 7.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.51 -35.43 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.93 -42.95 90.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.688 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.03 -42.04 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.578 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.7 -37.41 84.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.29 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.744 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.53 -25.47 61.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.45 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.4 156.74 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.499 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.232 0.168 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t 71.63 164.84 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.59 0.556 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.75 -129.43 48.4 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.98 75.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.659 0.266 . . . . 0.0 110.318 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.34 -36.65 82.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.127 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -50.36 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.55 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.29 -45.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 -42.56 94.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.023 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.12 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.039 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.02 -42.5 99.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.84 -41.51 91.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -63.52 -50.89 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.841 0.353 . . . . 0.0 111.361 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.7 -49.67 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.366 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.31 -39.47 85.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.1 -126.81 41.41 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.54 -35.0 71.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.419 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -60.75 -39.14 87.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.96 -173.71 34.55 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -152.51 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.733 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.716 0.293 . . . . 0.0 110.704 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.92 -46.13 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.62 -39.04 93.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.33 -51.04 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.475 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.5 m -71.21 -40.45 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.264 0.554 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.0 t -61.23 -48.66 80.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.995 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -86.92 -67.09 0.84 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.63 165.51 21.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.5 m -94.01 85.14 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -68.35 148.11 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.67 141.42 55.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.81 -40.09 95.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.459 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -59.54 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.46 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -62.55 -38.28 89.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.41 -35.43 73.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -54.42 -23.31 15.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.634 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 87.7 mmm -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.51 28.11 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.49 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.3 m -100.01 145.61 27.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.462 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.61 -179.485 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.713 0.292 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -137.14 160.22 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.44 -148.06 38.28 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.92 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 110.687 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -56.4 -46.71 80.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.308 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.01 -41.17 97.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.36 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.73 -43.79 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.04 -41.72 97.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.55 94.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.92 -43.29 99.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.525 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.68 -41.05 92.9 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.09 -49.98 75.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.673 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.6 -48.37 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.032 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 90.8 m -67.43 -37.73 83.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.171 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -129.57 42.11 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.91 -32.01 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.51 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.49 -39.48 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 -171.66 44.71 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -153.55 161.69 41.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.31 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.349 -179.805 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 pt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.737 0.303 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.27 -48.24 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.93 -42.58 97.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.11 -50.8 71.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.565 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -70.94 -40.54 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.53 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.62 -47.26 86.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -86.63 -69.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -79.77 163.44 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.503 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -89.4 113.5 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.47 135.88 48.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -76.45 151.48 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.37 -36.48 84.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.18 -49.04 77.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.745 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.13 -23.07 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.484 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.7 tp -65.12 -38.98 92.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.892 0.377 . . . . 0.0 110.129 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.47 -21.09 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -77.39 0.32 22.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -69.21 150.6 47.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 110.149 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.795 0.331 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -162.8 134.18 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.1 -146.81 16.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.8 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.21 -43.94 95.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.657 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.79 -47.29 84.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.968 0.413 . . . . 0.0 110.541 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.75 -43.98 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.13 0.49 . . . . 0.0 110.613 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.98 -39.42 92.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.75 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.771 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.34 95.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.376 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -67.04 -50.33 62.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.791 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.39 -49.81 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.186 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.6 m -71.27 -41.97 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.36 -130.34 43.76 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.23 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.745 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.527 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 -172.94 50.75 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -155.35 164.66 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.819 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.708 0.289 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.64 -48.33 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.039 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.59 -39.47 93.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.91 -51.42 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.678 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -70.93 -40.58 72.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 111.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.49 -47.47 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.94 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -86.3 -70.47 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -80.25 165.19 22.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -89.64 119.4 30.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 p -113.1 134.4 54.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.56 154.77 40.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.5 -39.77 94.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.97 -46.45 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.51 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -64.04 -38.99 93.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.25 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.77 -35.94 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.872 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.23 -35.33 73.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 74.2 mtm -60.75 -19.5 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.51 -11.59 60.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.617 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -67.74 147.26 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.353 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.388 -179.692 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.17 151.15 51.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.8 -125.87 40.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.36 77.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.6 0.238 . . . . 0.0 110.584 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.96 -43.59 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.509 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.12 -42.24 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.998 0.428 . . . . 0.0 110.583 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.81 -44.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.51 -45.76 92.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.419 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.63 -42.59 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -65.86 -40.7 91.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.78 -50.87 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.646 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.83 -48.88 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.297 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -67.54 -39.41 85.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 0.0 110.191 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.71 -131.93 49.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -58.25 -33.66 69.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.401 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -62.17 -39.31 92.23 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.74 -167.36 29.81 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -155.79 160.0 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.514 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.462 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . 0.406 HG23 HD11 ' X' ' 44' ' ' ILE . 84.3 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -62.43 -46.35 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.37 -37.8 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.763 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.81 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.25 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 92.2 m -71.86 -40.03 69.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 110.94 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.83 -47.34 86.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.871 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -88.22 -67.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 0.0 110.54 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -78.73 159.35 27.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -89.59 90.5 8.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -75.79 143.87 41.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 136.95 57.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.03 -40.86 99.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.57 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.69 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -64.01 -22.47 66.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.199 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tp -55.4 -24.78 31.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -62.41 -13.34 28.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 85.3 mmm -62.92 -38.48 91.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 110.497 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . 0.4 ' CZ ' HG21 ' X' ' 44' ' ' ILE . 2.9 m-85 -77.84 -18.84 55.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.604 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 99.3 m -67.51 158.8 31.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.441 -179.431 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.299 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -150.26 150.77 31.98 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.71 -127.88 44.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.32 77.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.65 0.262 . . . . 0.0 110.676 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.49 -40.96 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.56 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.45 -49.16 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.95 -45.59 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.71 -42.81 99.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.763 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.22 99.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.797 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.74 -42.92 99.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.401 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.52 -39.98 88.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.193 0.521 . . . . 0.0 110.384 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.29 -48.93 79.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.263 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -69.93 -47.65 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -128.38 72.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.753 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -72.41 0.94 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.05 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.59 -40.28 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.667 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.12 174.73 50.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -154.14 159.86 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.733 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . 0.406 HD13 HG23 ' X' ' 44' ' ' ILE . 87.5 mt . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.769 0.319 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.17 -45.12 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.11 -40.25 97.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.39 -51.61 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.474 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.97 -40.25 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 111.124 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.82 -47.93 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.62 -71.08 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -80.19 165.77 22.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -92.01 91.11 7.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.67 146.86 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.573 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.08 145.74 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.54 -39.16 93.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.397 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.87 -45.48 92.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.71 -39.29 93.55 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.925 0.393 . . . . 0.0 110.262 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.29 -36.83 76.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.507 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.33 -20.98 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.33 -36.51 80.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 0.0 110.63 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.73 24.72 0.47 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.488 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -97.04 156.36 16.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.016 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.545 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.823 0.344 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -164.02 147.64 9.8 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -127.94 46.47 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.69 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.608 0.242 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.09 -41.84 98.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.389 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.82 -43.77 95.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.28 -46.09 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.68 -45.3 93.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.08 97.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.639 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.01 -40.35 97.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.16 -45.59 91.16 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.354 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -62.12 -50.64 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.606 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.0 -42.03 94.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.566 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 61.9 m -99.3 28.89 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.47 139.95 41.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 65.3 7.54 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -127.15 -33.49 2.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.7 175.74 44.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -153.12 158.49 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 110.359 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 -179.533 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 pt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.773 0.32 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.2 -49.01 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.72 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.14 -40.14 94.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.41 -50.91 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.136 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.76 -40.55 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 111.345 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.23 -47.59 83.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -86.19 -67.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.375 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -80.78 163.56 23.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.882 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.81 86.8 6.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 23.6 p -73.1 159.11 34.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.527 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -92.97 148.42 22.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.189 0.519 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.59 -31.32 70.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -58.21 -48.95 78.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.517 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.771 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.84 -37.09 80.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.72 -26.15 56.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.978 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.7 mtm -63.45 -27.33 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.666 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -77.22 -3.37 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.2 m -69.33 145.3 53.11 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.142 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.438 -179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -164.05 138.92 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -145.06 17.46 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.68 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.73 -43.18 94.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.338 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.43 -43.64 98.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.632 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.49 -44.16 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.76 -40.75 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.88 90.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.14 -44.24 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.04 -41.88 97.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 0.0 110.479 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.03 -50.32 73.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.52 -41.38 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.601 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.3 m -86.1 5.98 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.697 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.86 -129.86 22.51 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -92.91 -3.9 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.003 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -65.62 -39.51 91.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.75 -178.91 39.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.76 166.64 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 110.97 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 p90 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 -179.246 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.728 0.299 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.18 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.75 -37.62 88.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.43 -51.06 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.9 m -72.31 -41.02 67.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -59.65 -49.17 78.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.794 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -83.75 -71.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.014 0.435 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -80.94 161.53 24.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -89.18 96.43 10.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.6 144.23 35.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.0 150.87 30.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.15 -38.96 92.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -58.75 -46.99 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.76 -39.13 93.11 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.727 0.298 . . . . 0.0 110.484 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.11 -28.7 66.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.144 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -61.47 -33.77 74.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.959 0.409 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtm -69.6 -13.85 62.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -76.04 -12.13 60.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 69.9 m -69.43 152.11 45.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 91.4 m -130.42 148.19 52.21 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.81 -128.57 47.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.84 76.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.693 0.282 . . . . 0.0 110.596 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.13 -40.76 95.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.65 -43.63 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.539 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.52 -43.41 94.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.12 -45.21 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.289 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.09 95.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.58 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.643 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.52 -39.78 88.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.75 -49.12 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.05 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.88 -46.63 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -124.58 66.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -44.64 95.65 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -83.3 -53.13 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -62.68 -40.92 98.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.51 -174.82 54.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -152.64 159.56 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.608 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . 0.41 HG22 HD11 ' X' ' 44' ' ' ILE . 90.9 mt . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.3 -46.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.775 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.15 -37.3 86.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.522 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.1 -52.67 64.36 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.086 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.81 -40.07 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.919 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.82 -46.45 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.743 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -88.15 -67.18 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.452 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -81.24 149.58 28.96 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -81.51 89.13 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.436 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -75.15 143.34 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.47 150.66 48.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.54 -38.12 88.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -60.21 -45.85 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.424 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -62.86 -38.75 92.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.035 0.445 . . . . 0.0 110.302 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.11 -37.54 80.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.78 -20.54 61.66 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.652 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.55 -30.64 70.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.703 0.287 . . . . 0.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -78.74 1.38 23.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.43 153.05 24.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 110.529 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.466 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.733 0.301 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -164.12 146.79 9.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.781 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.07 -127.32 44.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.93 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.22 -40.61 96.7 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.215 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.45 -46.04 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.22 -42.96 99.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.87 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.82 -43.52 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.35 -42.51 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.455 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.49 -50.5 71.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.928 0.394 . . . . 0.0 111.782 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.38 -49.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.36 -38.68 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.55 -129.21 39.33 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.89 -39.49 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.23 -177.27 48.84 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -151.51 161.32 42.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.516 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.2 p90 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.466 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.91 0.386 . . . . 0.0 110.429 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.01 -45.16 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.679 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.38 -38.65 90.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.85 -51.13 70.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.36 -40.48 70.62 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.162 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.0 t -61.58 -47.98 83.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.786 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -85.7 -69.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 0.0 110.349 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -79.58 162.12 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.747 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -90.81 95.69 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.449 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -81.13 138.25 35.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.369 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -65.74 145.86 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.49 -39.06 93.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.399 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.85 -46.28 89.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -62.63 -39.35 93.53 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.66 -31.83 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.532 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -30.26 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 72.8 mtm -61.47 -20.62 63.36 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.7 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.32 -8.72 57.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -69.91 146.86 50.91 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.361 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.362 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 84.2 m -132.02 156.57 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.57 -124.31 35.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.46 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.536 0.208 . . . . 0.0 110.753 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.01 -47.45 80.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.892 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.42 -45.77 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.03 -42.02 98.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.85 98.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.736 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.62 -43.04 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -65.41 -40.75 93.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.74 -48.61 81.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.38 -45.67 95.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.8 m -126.36 69.27 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.698 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 -68.53 1.63 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.56 -46.29 86.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -63.61 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.35 174.74 50.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.21 158.42 43.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.604 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.2 -45.96 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.64 -39.32 93.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.88 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.919 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -71.84 -40.77 68.84 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.076 0.465 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.33 -47.53 85.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.854 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -84.76 -72.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.38 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -81.13 163.2 23.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -88.85 94.17 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.327 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -76.37 147.27 38.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.96 140.47 57.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.01 -40.02 95.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -59.68 -49.08 79.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.507 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -61.31 -36.71 80.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.018 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -58.98 -35.46 73.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.365 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -58.34 -17.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 89.0 mmm -60.12 -37.06 78.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.414 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -81.27 28.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.311 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.56 147.31 29.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.28 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.469 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.425 -179.582 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.75 0.31 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.25 84.71 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.111 0.481 . . . . 0.0 110.554 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.99 -139.81 8.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.58 75.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.579 0.228 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.78 -42.21 92.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.539 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.15 -47.94 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.619 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.27 -45.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.151 0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.81 -39.33 93.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.48 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -66.74 -41.22 88.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.3 -49.35 77.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.85 -45.91 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.32 62.68 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.788 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.71 95.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.516 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.13 -51.69 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.54 -39.92 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.95 -176.42 53.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.1 159.22 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.863 0.363 . . . . 0.0 110.567 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.747 0.308 . . . . 0.0 110.459 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.29 -45.32 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.19 -38.71 92.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.83 -51.28 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.384 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.4 -40.73 70.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.24 -50.42 73.14 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -83.33 -67.48 0.79 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.21 162.65 23.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.496 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -91.61 83.72 5.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.413 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.0 p -67.77 134.01 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.67 151.17 42.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.0 -40.4 95.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -60.5 -48.01 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -63.24 -36.61 84.23 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.66 -36.94 77.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.533 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -58.73 -17.59 24.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.3 mtp -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 111.008 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -75.02 -8.49 56.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -70.8 152.48 43.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.455 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.0 146.62 45.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.481 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.42 -123.18 32.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.43 -40.86 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.319 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 tp -62.61 -48.16 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.415 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.78 -46.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.67 98.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.01 -42.69 99.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.44 -40.74 93.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.44 -49.67 76.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.55 -43.46 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.494 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 70.7 m -121.06 64.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.94 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.76 99.53 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -91.48 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.147 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.33 -41.19 96.92 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.01 175.28 38.73 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -149.31 159.42 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.681 0.277 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.2 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.75 -37.17 85.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.67 -51.63 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.856 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.84 -40.17 69.24 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -86.62 -67.27 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.462 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.71 162.68 24.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.672 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.64 85.74 5.78 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.182 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.1 p -67.38 150.46 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.92 139.19 58.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.49 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.74 -39.4 94.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.414 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -60.05 -44.92 94.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.583 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.44 -39.94 92.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.949 0.404 . . . . 0.0 110.579 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' X' ' 61' ' ' TYR . 9.6 tp -59.46 -35.71 74.58 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.5 -37.01 72.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.77 0.319 . . . . 0.0 110.692 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.62 -13.49 32.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' X' ' 58' ' ' LEU . 13.1 m-30 -73.8 -24.74 59.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.11 0.481 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 65.2 m -66.96 169.95 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.233 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 -179.348 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.72 138.86 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.295 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.19 -148.44 18.89 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.25 -42.03 94.48 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.539 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.21 -46.9 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.495 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.4 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.27 -40.13 95.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.82 93.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.473 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.14 -42.17 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.726 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.3 -41.91 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.23 -50.53 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.553 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.36 -49.01 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -68.97 -37.24 78.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.653 . . . . 0.0 110.245 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.45 46.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.89 -34.56 71.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.69 0.281 . . . . 0.0 110.486 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -61.4 -39.48 90.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.569 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.37 -163.68 30.83 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -156.41 162.5 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.678 0.275 . . . . 0.0 110.464 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.483 -179.761 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.71 -47.15 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 -38.65 90.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.1 70.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.104 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.9 m -71.95 -40.79 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.9 t -60.42 -47.8 84.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.84 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.13 -69.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.42 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -80.41 160.82 25.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.596 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -88.99 100.28 13.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.53 135.0 33.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.511 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -76.59 158.07 31.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.68 -39.83 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.22 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -59.63 -46.56 88.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.219 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.73 -38.95 90.55 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 120.994 0.426 . . . . 0.0 110.18 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.41 -32.57 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -63.77 -21.83 66.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.94 -35.41 80.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.97 0.414 . . . . 0.0 110.615 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.07 -15.04 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 152.28 44.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.55 -179.565 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -159.51 137.43 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.329 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.09 -149.63 18.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.56 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.534 0.207 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.26 -41.68 93.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.35 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.3 -47.13 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.403 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.56 -45.82 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.25 -39.07 91.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.86 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.179 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.0 mt -61.71 -42.99 99.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.623 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -65.41 -40.64 93.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.194 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.09 -50.29 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.706 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.13 -47.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.6 m -66.98 -37.8 84.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.8 -128.8 45.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.37 -34.91 71.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.683 0.277 . . . . 0.0 110.574 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -61.18 -39.09 88.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.474 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.33 -172.49 26.64 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -152.44 162.81 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 p90 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -179.657 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.662 0.268 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.37 -47.31 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.26 -39.48 94.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.28 -50.8 71.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.443 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.33 -40.51 67.39 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.12 -47.09 87.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.031 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.52 -67.96 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.195 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.54 163.69 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -92.67 99.45 12.14 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.237 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.6 133.67 34.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.49 152.52 42.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.96 -39.69 95.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.728 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.27 -47.11 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.563 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.07 -40.26 95.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 120.93 0.395 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -56.64 -32.1 65.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.143 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.2 -33.31 70.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.805 0.336 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 78.2 mtm -68.51 -11.33 59.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.42 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -76.58 -17.5 59.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.82 156.62 23.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.446 -0.645 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.367 -179.544 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.758 0.313 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -132.71 157.68 44.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.37 -126.13 41.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.25 80.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.661 0.267 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.15 -42.04 97.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.89 -41.78 91.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.93 -43.53 92.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.919 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.72 -43.85 97.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.258 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.26 98.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.734 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.71 -42.84 99.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.43 -40.35 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.463 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.93 -49.52 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.68 -43.64 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -68.87 -18.3 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.335 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.71 55.63 3.13 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 60.29 42.76 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -130.69 118.15 20.5 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 109.881 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 154.6 28.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -127.18 145.46 50.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.859 -179.684 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 81.9 mt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.714 0.293 . . . . 0.0 110.672 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.57 -44.14 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.149 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.82 -39.43 94.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.88 -51.1 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.083 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.84 -40.64 68.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -61.4 -48.52 80.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -85.16 -68.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.187 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.89 162.09 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.741 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -91.38 90.74 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.161 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 28.8 p -72.71 142.72 48.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.69 139.39 58.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.06 -48.26 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -63.71 -37.77 88.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.912 0.386 . . . . 0.0 110.23 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.73 -31.26 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.407 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -57.58 -31.99 66.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.439 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.96 -19.62 64.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -76.59 -11.77 59.92 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.4 160.81 24.01 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.231 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.835 0.35 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 77.2 m -129.38 157.1 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.84 -124.74 37.12 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.83 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.638 0.256 . . . . 0.0 110.421 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.33 -43.07 92.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.16 -47.4 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.58 -46.66 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.6 -41.09 98.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.2 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.61 -42.25 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.95 -38.84 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.229 0.538 . . . . 0.0 110.184 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.29 -48.63 80.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -62.06 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.46 -77.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.09 30.53 75.9 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.69 -78.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.757 0.313 . . . . 0.0 110.666 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -62.25 -39.41 92.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.485 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.84 174.97 22.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -147.58 151.13 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 44' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' X' ' 61' ' ' TYR . 43.4 pt . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.9 -46.2 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.811 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -32.48 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.29 -52.26 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.735 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.66 -40.68 66.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.718 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.5 t -60.37 -48.85 79.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.799 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -86.38 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -80.2 161.65 25.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.323 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -88.83 114.47 25.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.58 137.54 48.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.367 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.15 147.41 50.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.17 0.51 . . . . 0.0 110.909 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.91 -35.58 81.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -56.24 -48.42 76.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.66 -22.55 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.11 -34.18 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -53.42 -22.59 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.57 -9.53 43.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 61' ' ' TYR . . . . . 0.408 ' CZ ' ' HB ' ' X' ' 44' ' ' ILE . 4.2 m-30 -70.91 -31.67 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.672 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.1 163.18 20.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 -179.507 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.92 177.23 54.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.28 70.51 4.69 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.878 2.385 . . . . 0.0 112.091 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 57.9 47.69 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.4 p -128.18 160.5 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.19 121.47 43.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 41.2 t -161.52 136.07 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.55 -147.57 18.58 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.32 84.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 110.544 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.77 -40.49 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.458 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 69.4 tp -61.32 -46.04 91.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.982 0.42 . . . . 0.0 110.516 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.91 -41.61 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 0.0 110.662 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.75 -41.9 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 60.4 mt -62.46 -41.88 99.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.32 -41.63 96.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.371 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.96 -50.46 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.91 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -68.75 -38.48 80.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.698 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 -170.33 32.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.04 -14.27 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.626 0.25 . . . . 0.0 110.785 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -60.42 -38.08 82.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.42 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.73 -172.61 27.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -156.86 168.64 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -137.49 166.62 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -108.52 141.08 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -72.98 155.08 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.456 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -67.39 152.55 96.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.13 -19.23 45.22 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.849 2.366 . . . . 0.0 112.188 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -142.85 151.31 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.17 -95.71 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -135.85 129.03 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.03 177.57 44.9 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 83.7 p -113.39 -6.79 13.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.588 0.232 . . . . 0.0 110.86 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 97.7 p -63.13 -36.61 84.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -65.32 -37.09 86.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.07 0.462 . . . . 0.0 110.728 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.28 -44.29 96.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -61.51 -43.86 98.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.382 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.62 160.36 81.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.567 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -74.02 62.32 4.93 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.798 2.332 . . . . 0.0 112.184 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -100.71 13.19 35.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.765 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -61.05 -44.81 96.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.547 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.52 152.31 22.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.7 pt -67.06 -30.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.607 0.241 . . . . 0.0 110.366 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 51.7 t -63.4 -47.55 91.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.058 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.56 -38.83 92.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.78 -50.66 71.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.332 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.9 m -71.64 -40.9 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.262 0.553 . . . . 0.0 111.18 179.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.41 -48.93 79.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.954 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.37 -71.53 0.5 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.005 0.431 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -81.25 162.48 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.477 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -89.18 101.29 13.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.257 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 136.07 33.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.54 151.93 42.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.57 -40.06 95.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.13 -47.79 84.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -64.47 -37.53 87.87 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.6 tp -58.72 -33.61 70.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.43 -20.94 65.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.5 mtp -62.95 -34.09 76.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.772 0.32 . . . . 0.0 110.738 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.17 -10.26 59.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.8 m -75.6 162.03 28.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.56 162.14 59.52 Favored Pre-proline 0 N--CA 1.447 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.358 -179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.32 143.06 44.88 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.914 2.409 . . . . 0.0 112.139 -179.862 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 75.7 mt -115.19 144.57 43.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.64 153.06 43.12 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.85 155.28 62.64 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.783 2.322 . . . . 0.0 112.257 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.45 89.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.507 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -91.32 127.01 36.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.75 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -65.21 148.75 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.38 170.93 55.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.56 67.07 4.63 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.87 2.38 . . . . 0.0 112.205 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 54.36 41.54 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.561 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 13.7 t -149.77 150.94 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.88 131.64 56.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -162.2 145.87 11.95 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.778 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.28 -128.75 44.65 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.03 79.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.654 0.264 . . . . 0.0 110.634 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.04 -42.47 98.53 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.464 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.8 -42.53 85.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.42 -44.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.11 -44.56 96.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.33 98.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -60.77 -43.52 97.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.21 -40.97 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.83 -50.15 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.14 -44.28 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -119.1 62.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.61 99.76 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -98.58 -40.01 8.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.18 -40.18 95.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 -176.68 44.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -156.7 163.32 39.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -144.79 168.01 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -108.32 133.83 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.31 92.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -129.03 76.16 79.54 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.48 -28.07 62.36 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.854 2.369 . . . . 0.0 111.86 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.7 p -125.37 161.35 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.513 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.33 12.71 16.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -83.94 109.21 17.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.871 0.367 . . . . 0.0 110.46 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.11 -7.94 80.97 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 95.7 p -119.09 -9.82 9.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -138.68 120.46 15.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.53 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 47.6 t -156.87 147.46 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.521 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 56.59 -95.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.736 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -134.27 33.38 3.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.906 0.384 . . . . 0.0 110.206 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -69.63 163.7 57.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.473 -179.605 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -60.32 81.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 123.068 2.512 . . . . 0.0 112.147 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -91.96 14.33 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.75 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -75.74 165.86 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.72 -179.76 33.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 pt -65.58 -32.44 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.782 0.325 . . . . 0.0 110.404 -179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.05 -45.33 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.22 -39.12 93.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.529 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.18 -51.18 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.255 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 93.9 m -71.35 -40.59 70.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.185 0.517 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.45 -48.02 83.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.917 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -85.83 -67.31 0.82 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.048 0.451 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -80.96 162.26 23.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.537 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.0 t -91.94 91.92 8.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.38 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -77.58 149.69 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.43 154.12 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.523 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.09 -37.38 86.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -57.59 -41.0 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -86.18 -18.45 32.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -63.43 -11.84 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.9 mtp -65.29 -37.03 85.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -77.49 -10.07 59.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.787 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -80.63 147.92 30.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 110.428 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.56 155.26 93.67 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -74.74 156.4 44.18 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.992 2.462 . . . . 0.0 112.243 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.3 145.08 48.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -74.22 152.99 88.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.535 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -70.68 158.91 54.41 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.858 2.372 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.15 88.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.48 -45.38 91.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -61.8 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.33 -175.09 47.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.37 63.16 6.28 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.746 2.297 . . . . 0.0 112.011 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -93.35 2.86 56.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.104 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -106.21 125.75 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.55 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.3 mt -108.71 125.52 52.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.231 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -165.1 151.16 9.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.767 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -131.8 52.23 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.68 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.695 0.283 . . . . 0.0 110.726 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.49 -42.07 95.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 110.209 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.35 -43.79 96.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.2 -47.19 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 0.0 110.92 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.87 -42.72 97.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.39 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.66 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.3 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.76 -41.96 95.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.319 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.46 -49.51 76.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.385 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.77 -46.89 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.75 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 79.0 m -76.52 -19.32 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.641 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.79 -153.6 44.12 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -17.6 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.657 0.265 . . . . 0.0 110.703 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -60.5 -38.02 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.65 -173.0 47.11 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -151.03 161.31 42.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.007 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.2 p90 -147.26 161.81 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.348 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.7 -18.27 11.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -145.57 -56.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.367 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -131.77 153.83 81.59 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.36 -24.66 57.25 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.276 . . . . 0.0 112.2 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 82.0 p -130.57 159.67 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.82 41.11 0.35 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -60.03 -27.17 66.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.08 151.54 48.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 70.3 m -104.63 -0.04 28.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.621 0.248 . . . . 0.0 110.842 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -65.11 -20.75 66.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.687 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -143.1 145.54 32.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.506 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -70.54 153.71 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -61.35 -45.79 92.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.5 76.23 77.82 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.89 30.27 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.988 2.459 . . . . 0.0 112.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -150.83 108.96 3.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.227 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -77.63 162.86 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.412 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.65 -68.19 0.36 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 82.0 mt -61.74 -47.79 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.776 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.9 -46.81 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.58 -39.9 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -50.38 72.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.174 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m -70.51 -41.13 73.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.935 0.398 . . . . 0.0 110.96 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.86 -48.19 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.746 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -87.11 -68.0 0.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.123 0.487 . . . . 0.0 110.668 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.6 167.47 20.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 71.8 m -94.94 84.56 4.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -69.31 144.73 53.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.475 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.02 145.52 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.986 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.23 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.46 -46.78 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.89 -37.0 84.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.994 0.426 . . . . 0.0 110.312 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.56 -33.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.429 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.86 -22.57 64.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 84.2 mmm -60.61 -34.57 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.745 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 2.8 m-85 -78.29 6.94 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -74.77 165.76 24.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.829 0.347 . . . . 0.0 110.248 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.7 91.35 38.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.35 147.55 84.48 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 123.174 2.583 . . . . 0.0 112.028 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.14 144.3 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.82 157.43 90.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.17 140.87 81.12 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.563 2.175 . . . . 0.0 111.895 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.74 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.9 161.57 42.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p -63.53 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.61 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.73 -173.96 46.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.06 69.95 3.78 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.374 . . . . 0.0 112.122 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 59.05 43.95 16.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.644 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -132.04 160.98 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.629 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.81 87.31 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -137.82 151.35 48.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.79 -152.01 20.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.44 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.74 0.305 . . . . 0.0 110.337 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.3 -41.91 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.82 -43.07 94.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.857 179.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.83 -42.26 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.744 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.33 -39.34 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.29 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.09 94.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.4 mt -60.8 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -66.44 -38.64 87.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.09 -49.62 76.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 70.7 t -64.16 -46.58 93.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 -178.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.7 -38.2 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.32 -130.44 48.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.68 -34.85 71.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.753 0.311 . . . . 0.0 110.615 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -61.74 -38.12 86.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 -168.01 18.65 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.83 159.72 41.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -154.63 167.54 29.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -117.16 135.99 53.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -91.86 108.43 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 49.99 61.99 12.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.51 -24.12 36.5 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.811 2.341 . . . . 0.0 112.114 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.4 p -134.67 161.93 33.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.11 134.61 1.98 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -63.71 -25.14 68.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.837 0.351 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.97 96.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -95.47 -13.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 22.4 p -68.6 -8.79 45.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.568 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p -61.23 -41.36 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.098 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -151.43 11.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -136.51 144.36 44.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -137.75 161.7 58.68 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.649 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -75.48 67.63 6.29 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.807 2.338 . . . . 0.0 112.017 179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.23 12.13 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -146.31 151.31 37.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.78 -170.73 41.4 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 24.0 pt -64.57 -32.16 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.674 0.273 . . . . 0.0 110.509 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 48.9 t -66.61 -46.35 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.79 -37.02 86.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.714 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.41 -51.63 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.914 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -71.51 -41.02 69.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.988 0.423 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.6 -48.32 82.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.751 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -86.38 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -79.45 162.8 25.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.536 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -92.23 87.91 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.473 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -76.03 154.66 35.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -105.39 171.22 7.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.51 -35.43 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.93 -42.95 90.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.688 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 1.8 mp -61.03 -42.04 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.578 179.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.7 -37.41 84.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.29 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.744 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.53 -25.47 61.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.45 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.4 156.74 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.499 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 149.24 88.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.1 156.44 51.67 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.886 2.391 . . . . 0.0 112.136 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 37.12 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.03 158.81 86.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.31 140.85 88.93 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.845 2.363 . . . . 0.0 112.02 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.6 141.36 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.564 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -154.4 162.09 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 72.0 m -63.33 -41.45 98.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.713 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.67 -167.21 52.77 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.32 68.69 5.96 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.745 2.297 . . . . 0.0 112.011 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -130.14 118.46 21.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -131.03 162.48 29.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -127.53 176.65 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t 71.63 164.84 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.59 0.556 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.75 -129.43 48.4 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.98 75.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.659 0.266 . . . . 0.0 110.318 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.34 -36.65 82.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.127 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.64 -50.36 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.55 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.29 -45.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 -42.56 94.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.023 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.12 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.039 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.02 -42.5 99.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.84 -41.51 91.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -63.52 -50.89 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.841 0.353 . . . . 0.0 111.361 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.7 -49.67 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.366 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.31 -39.47 85.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.1 -126.81 41.41 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.54 -35.0 71.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.419 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.5 mtm-85 -60.75 -39.14 87.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.96 -173.71 34.55 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -152.51 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -127.75 -22.89 3.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.733 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.51 141.13 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.57 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t30 61.59 60.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.24 153.68 89.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.548 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.52 61.58 6.09 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.1 p -91.41 -12.59 34.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.592 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.91 121.5 1.85 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -71.11 128.82 37.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.544 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.05 -8.43 76.5 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 75.6 m -116.47 -21.38 9.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.377 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 86.6 p -62.02 -36.69 82.31 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.43 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 89.3 p -64.36 -36.93 85.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.559 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -63.85 -40.56 96.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.647 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.51 160.61 30.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.637 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -75.31 71.34 5.23 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.777 2.318 . . . . 0.0 112.067 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -95.73 11.42 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 61.9 p -76.52 165.72 24.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.67 -81.36 0.3 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 81.1 mt -61.41 -47.1 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.716 0.293 . . . . 0.0 110.704 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.92 -46.13 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.62 -39.04 93.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.33 -51.04 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.475 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.5 m -71.21 -40.45 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.264 0.554 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.0 t -61.23 -48.66 80.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.995 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -86.92 -67.09 0.84 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.63 165.51 21.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.5 m -94.01 85.14 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -68.35 148.11 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.67 141.42 55.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.81 -40.09 95.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.459 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -59.54 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.46 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -62.55 -38.28 89.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 14.8 tp -59.41 -35.43 73.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -54.42 -23.31 15.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.634 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 87.7 mmm -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -80.51 28.11 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.49 -179.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.3 m -100.01 145.61 27.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -67.61 153.69 94.56 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.61 159.0 43.25 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.014 2.476 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.94 153.16 95.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.92 154.41 63.14 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.732 2.288 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.31 86.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.37 -46.36 86.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.55 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.577 -179.887 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.38 72.64 0.96 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.24 150.38 87.13 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 123.132 2.554 . . . . 0.0 111.773 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.75 1.23 56.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.99 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 76.1 p -129.02 159.57 35.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.587 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -117.73 102.88 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -137.14 160.22 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.44 -148.06 38.28 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.92 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 110.687 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -56.4 -46.71 80.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.308 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.01 -41.17 97.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.36 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.73 -43.79 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.04 -41.72 97.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.55 94.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.6 mt -61.92 -43.29 99.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.525 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.68 -41.05 92.9 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.09 -49.98 75.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.673 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.6 -48.37 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.032 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 90.8 m -67.43 -37.73 83.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.171 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -129.57 42.11 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.91 -32.01 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.51 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.49 -39.48 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 -171.66 44.71 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -153.55 161.69 41.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.31 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -148.2 167.22 25.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.349 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -113.11 141.79 46.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.42 148.32 48.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.628 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt 49.62 61.95 12.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.95 -23.66 54.12 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.637 2.225 . . . . 0.0 112.238 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -69.64 -28.87 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.9 3.44 21.05 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.28 131.33 47.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.761 0.315 . . . . 0.0 110.413 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.72 155.43 53.29 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 94.9 p -106.97 -17.4 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.345 . . . . 0.0 110.779 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 59.3 p -64.72 -35.52 81.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.573 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m 53.0 26.66 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.495 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -139.44 147.46 41.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.758 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 54.16 39.88 31.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -73.29 158.24 87.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -76.64 57.8 5.69 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.562 2.175 . . . . 0.0 112.085 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 49.14 48.7 20.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -146.2 154.28 41.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.3 151.08 27.59 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 pt -70.47 -32.03 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.737 0.303 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.27 -48.24 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.93 -42.58 97.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.11 -50.8 71.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.565 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -70.94 -40.54 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.53 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.62 -47.26 86.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -86.63 -69.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -79.77 163.44 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.503 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -89.4 113.5 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.47 135.88 48.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -76.45 151.48 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.37 -36.48 84.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.18 -49.04 77.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.745 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.13 -23.07 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.484 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.7 tp -65.12 -38.98 92.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.892 0.377 . . . . 0.0 110.129 -179.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.47 -21.09 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -77.39 0.32 22.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -69.21 150.6 47.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 110.149 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.47 164.9 53.79 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 48.6 Cg_exo -54.25 152.15 26.36 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 123.173 2.582 . . . . 0.0 111.779 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 143.49 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -69.41 154.84 94.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.614 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.06 157.51 54.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.613 2.208 . . . . 0.0 112.417 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.641 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -59.22 -46.63 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 88.2 p -64.86 -37.25 87.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.617 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.56 -56.19 25.77 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -82.72 121.84 3.37 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.18 -1.63 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.899 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 60.9 p -79.33 163.15 25.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.73 124.37 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -162.8 134.18 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.1 -146.81 16.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.8 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.21 -43.94 95.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.657 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.79 -47.29 84.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.968 0.413 . . . . 0.0 110.541 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.75 -43.98 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.13 0.49 . . . . 0.0 110.613 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.98 -39.42 92.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.75 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.771 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.34 95.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.376 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -67.04 -50.33 62.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.791 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.39 -49.81 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.186 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.6 m -71.27 -41.97 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.36 -130.34 43.76 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.23 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.745 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.527 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 -172.94 50.75 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -155.35 164.66 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -142.25 165.13 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -113.6 144.69 42.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.649 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.01 171.48 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -124.78 72.76 62.54 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -19.26 61.78 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.088 2.525 . . . . 0.0 111.984 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 73.9 p -70.23 -14.51 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.576 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.14 -46.37 0.28 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -152.11 161.19 43.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.75 -5.96 83.24 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 94.6 p -103.53 -2.53 26.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.752 -0.263 . . . . 0.0 110.481 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -66.6 -20.0 65.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.619 0.247 . . . . 0.0 110.441 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 39.4 t -88.34 102.8 15.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.925 0.393 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.61 -39.67 88.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.842 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -62.24 -27.01 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.83 77.42 65.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.84 72.15 5.86 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.922 2.415 . . . . 0.0 111.766 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.6 73.92 6.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.617 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 96.7 m -60.15 -46.64 89.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.502 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 175.08 160.33 22.81 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.1 pt -70.51 -30.08 41.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.708 0.289 . . . . 0.0 110.502 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.1 t -63.64 -48.33 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.039 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.59 -39.47 93.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.91 -51.42 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.678 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -70.93 -40.58 72.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 111.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.49 -47.47 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.94 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -86.3 -70.47 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -80.25 165.19 22.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -89.64 119.4 30.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 p -113.1 134.4 54.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.56 154.77 40.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.5 -39.77 94.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.97 -46.45 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.51 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -64.04 -38.99 93.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.25 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.77 -35.94 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.872 -179.335 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.23 -35.33 73.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 74.2 mtm -60.75 -19.5 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.2 m-30 -75.51 -11.59 60.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.617 179.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -67.74 147.26 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.353 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.06 156.34 91.75 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.388 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.04 153.66 41.73 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.817 2.345 . . . . 0.0 112.382 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.43 29.89 7.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.302 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.59 158.77 87.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.859 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.14 141.73 87.24 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.615 2.21 . . . . 0.0 111.926 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.15 142.71 58.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.668 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -61.44 -43.6 98.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 89.2 p -152.76 162.42 41.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.512 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.72 -178.34 48.39 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -79.93 171.51 15.27 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.188 2.592 . . . . 0.0 111.746 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 59.7 44.89 13.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.463 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -129.33 162.29 28.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.717 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.58 97.4 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.17 151.15 51.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.8 -125.87 40.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.36 77.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.6 0.238 . . . . 0.0 110.584 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.96 -43.59 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.509 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.12 -42.24 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.998 0.428 . . . . 0.0 110.583 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.81 -44.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.51 -45.76 92.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.419 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.63 -42.59 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -65.86 -40.7 91.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.78 -50.87 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.646 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.83 -48.88 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.297 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -67.54 -39.41 85.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 0.0 110.191 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.71 -131.93 49.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -58.25 -33.66 69.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.401 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -62.17 -39.31 92.23 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.74 -167.36 29.81 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -155.79 160.0 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.514 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -153.37 163.4 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.462 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -125.86 143.17 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 p30 -83.97 178.01 8.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -136.52 70.38 60.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.74 -23.59 35.71 Favored 'Trans proline' 0 C--N 1.302 -1.891 0 C-N-CA 122.861 2.374 . . . . 0.0 112.069 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p -129.03 158.11 39.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.58 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.13 6.54 25.25 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.34 -36.88 85.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.655 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.4 -8.95 78.48 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -159.83 -80.16 0.05 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.727 0.299 . . . . 0.0 110.495 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t 48.24 32.96 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.452 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 88.7 p -63.33 -35.04 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.06 -45.46 94.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -63.07 -44.42 95.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.711 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.51 77.26 77.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.71 63.43 5.72 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.913 2.409 . . . . 0.0 112.258 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -105.34 15.99 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.828 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.01 -160.91 0.29 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.322 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.59 168.2 33.72 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . 0.406 HG23 HD11 ' X' ' 44' ' ' ILE . 84.3 mt -61.4 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.75 0.31 . . . . 0.0 110.736 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -62.43 -46.35 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.37 -37.8 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.763 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.81 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.25 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 92.2 m -71.86 -40.03 69.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 110.94 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.83 -47.34 86.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.871 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -88.22 -67.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 0.0 110.54 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -78.73 159.35 27.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -89.59 90.5 8.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -75.79 143.87 41.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 136.95 57.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.03 -40.86 99.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.57 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.69 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -64.01 -22.47 66.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.199 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 6.4 tp -55.4 -24.78 31.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -62.41 -13.34 28.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 85.3 mmm -62.92 -38.48 91.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 110.497 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . 0.4 ' CZ ' HG21 ' X' ' 44' ' ' ILE . 2.9 m-85 -77.84 -18.84 55.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.604 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 99.3 m -67.51 158.8 31.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -66.8 163.42 43.23 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.441 -179.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_exo -50.23 140.33 33.78 Favored 'Trans proline' 0 C--N 1.302 -1.879 0 C-N-CA 122.85 2.367 . . . . 0.0 111.719 -179.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 68.4 mt -71.58 143.9 49.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.46 -179.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -128.36 75.8 78.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.0 143.52 96.1 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.866 2.377 . . . . 0.0 111.853 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.88 142.47 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -62.18 -39.05 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 98.9 p -63.01 -23.59 67.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.57 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.61 176.31 45.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.99 -20.47 60.57 Favored 'Trans proline' 0 C--N 1.303 -1.864 0 C-N-CA 123.0 2.466 . . . . 0.0 112.583 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.14 0.13 57.59 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.111 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 80.6 p -130.27 159.31 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 78.3 mt -112.82 117.36 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.299 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -150.26 150.77 31.98 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.71 -127.88 44.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.32 77.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.65 0.262 . . . . 0.0 110.676 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.49 -40.96 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.56 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.45 -49.16 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.95 -45.59 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.71 -42.81 99.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.763 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.02 -41.22 99.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.797 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -61.74 -42.92 99.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.401 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.52 -39.98 88.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.193 0.521 . . . . 0.0 110.384 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.29 -48.93 79.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.263 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -69.93 -47.65 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -128.38 72.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.753 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -72.41 0.94 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.05 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.59 -40.28 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.667 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.12 174.73 50.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -154.14 159.86 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.733 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -151.3 162.42 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -127.66 146.81 50.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -86.14 160.01 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -62.37 153.6 75.45 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.407 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.77 62.14 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.785 2.324 . . . . 0.0 112.278 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 79.8 p -99.23 -10.24 22.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -178.76 -172.17 42.81 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -123.02 128.78 50.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.17 -127.51 44.06 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -103.55 12.51 34.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 110.654 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -131.41 113.82 14.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.995 0.426 . . . . 0.0 110.433 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 57.9 m -100.88 11.11 40.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.638 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -62.19 -39.89 94.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 110.665 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -133.86 139.45 46.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.65 72.21 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.431 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.4 61.26 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.776 2.317 . . . . 0.0 112.415 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 49.27 55.71 8.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.723 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 11.3 t -136.59 151.34 49.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.392 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.39 179.35 45.78 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . 0.406 HD13 HG23 ' X' ' 44' ' ' ILE . 87.5 mt -61.28 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.777 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.17 -45.12 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.11 -40.25 97.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.39 -51.61 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.474 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.97 -40.25 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 111.124 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.82 -47.93 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.62 -71.08 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -80.19 165.77 22.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -92.01 91.11 7.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.67 146.86 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.573 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.08 145.74 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.54 -39.16 93.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.397 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.87 -45.48 92.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.71 -39.29 93.55 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.925 0.393 . . . . 0.0 110.262 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.29 -36.83 76.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.507 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.33 -20.98 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.33 -36.51 80.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 0.0 110.63 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -80.73 24.72 0.47 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.488 -179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -97.04 156.36 16.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.016 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 155.13 83.4 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.69 158.34 47.2 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 123.011 2.474 . . . . 0.0 112.283 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.96 144.1 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.98 153.64 95.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.566 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 152.35 75.83 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.697 2.264 . . . . 0.0 112.286 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.32 142.39 58.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.556 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.26 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m 55.66 40.08 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.84 -60.41 8.96 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.61 69.51 7.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.572 2.181 . . . . 0.0 112.507 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -67.31 -10.88 55.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.287 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 69.5 p -75.54 162.87 27.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.514 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.8 122.46 47.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -164.02 147.64 9.8 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -127.94 46.47 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.69 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.608 0.242 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.09 -41.84 98.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.389 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.82 -43.77 95.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.28 -46.09 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.68 -45.3 93.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.08 97.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.639 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.01 -40.35 97.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.16 -45.59 91.16 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.354 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -62.12 -50.64 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.606 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.0 -42.03 94.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.566 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 61.9 m -99.3 28.89 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.47 139.95 41.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 65.3 7.54 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 92.7 mtm-85 -127.15 -33.49 2.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.7 175.74 44.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -153.12 158.49 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 110.359 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -155.49 168.1 28.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.32 135.37 54.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -111.02 112.23 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -128.97 73.2 81.83 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.45 -36.16 93.54 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.829 2.353 . . . . 0.0 112.204 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 67.9 p -75.6 165.87 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 21.91 2.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -63.35 -38.68 92.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.909 0.385 . . . . 0.0 110.716 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.77 176.22 39.86 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 86.9 p -107.25 1.27 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 54.5 p -63.4 -24.57 67.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 42.6 t -64.14 140.98 58.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -62.22 -39.44 92.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -153.71 159.1 41.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -156.93 162.0 28.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -73.97 79.98 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.718 2.278 . . . . 0.0 112.206 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -89.92 8.9 29.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 71.2 p -79.39 165.88 22.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.64 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.0 173.92 43.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.604 -0.999 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 pt -67.73 -28.98 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.2 -49.01 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.72 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.14 -40.14 94.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.41 -50.91 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.136 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.76 -40.55 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 111.345 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.23 -47.59 83.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -86.19 -67.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.375 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -80.78 163.56 23.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.882 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.81 86.8 6.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 23.6 p -73.1 159.11 34.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.527 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -92.97 148.42 22.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.189 0.519 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.59 -31.32 70.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -58.21 -48.95 78.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.517 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.771 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 13.3 tp -60.84 -37.09 80.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 -179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.72 -26.15 56.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.978 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.7 mtm -63.45 -27.33 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.666 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.0 m-85 -77.22 -3.37 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.2 m -69.33 145.3 53.11 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.142 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -75.4 165.22 55.43 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.438 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 50.7 Cg_exo -52.59 138.03 58.2 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 C-N-CA 123.051 2.501 . . . . 0.0 111.691 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.44 26.06 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.71 158.4 87.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.712 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.29 141.63 80.76 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.492 2.128 . . . . 0.0 112.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.643 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -125.97 144.48 50.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.546 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 47.9 t -61.62 -43.63 98.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.4 -178.52 51.65 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.37 170.12 15.01 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.225 2.617 . . . . 0.0 112.175 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -164.8 141.29 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 65.7 p -129.81 160.64 32.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -111.16 126.5 54.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -164.05 138.92 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -145.06 17.46 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.68 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.73 -43.18 94.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.338 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.43 -43.64 98.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.632 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.49 -44.16 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.76 -40.75 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.88 90.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.14 -44.24 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.04 -41.88 97.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 0.0 110.479 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.03 -50.32 73.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.52 -41.38 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.601 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.3 m -86.1 5.98 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.697 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.86 -129.86 22.51 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -92.91 -3.9 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.003 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -65.62 -39.51 91.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.75 -178.91 39.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.76 166.64 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 110.97 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -131.57 167.1 19.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -113.35 -17.04 12.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.02 116.61 32.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.962 0.41 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.52 158.78 82.94 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.21 -36.41 77.49 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.8 2.334 . . . . 0.0 111.882 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -148.26 144.44 27.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.42 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.19 15.23 15.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.64 -49.53 77.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.18 -129.45 49.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -115.14 17.85 16.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.541 0.21 . . . . 0.0 110.538 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -153.24 136.9 16.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.004 0.431 . . . . 0.0 110.38 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t -60.99 -42.66 98.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.852 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -63.82 132.32 50.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -119.12 137.29 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.464 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.12 69.87 80.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -78.55 59.3 7.13 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.797 2.331 . . . . 0.0 112.063 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -113.77 17.32 18.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 28.4 p -110.3 -78.77 0.59 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.924 0.392 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.93 162.5 36.83 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 34.9 pt -65.63 -30.36 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.728 0.299 . . . . 0.0 110.485 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.18 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.75 -37.62 88.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.43 -51.06 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.9 m -72.31 -41.02 67.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -59.65 -49.17 78.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.794 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -83.75 -71.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.014 0.435 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -80.94 161.53 24.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -89.18 96.43 10.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.6 144.23 35.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.0 150.87 30.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.15 -38.96 92.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -58.75 -46.99 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.76 -39.13 93.11 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.727 0.298 . . . . 0.0 110.484 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.11 -28.7 66.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.144 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -61.47 -33.77 74.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.959 0.409 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtm -69.6 -13.85 62.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -76.04 -12.13 60.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 69.9 m -69.43 152.11 45.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.07 156.9 91.36 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -73.92 156.33 47.94 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.051 2.501 . . . . 0.0 112.237 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.99 146.93 43.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 153.32 94.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.7 148.18 64.89 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.39 144.64 42.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -61.57 -40.72 95.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.557 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.18 178.04 45.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.3 -12.49 33.89 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 123.028 2.486 . . . . 0.0 112.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.13 -8.71 57.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.93 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.2 p -109.58 11.46 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.763 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -137.52 32.26 2.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 91.4 m -130.42 148.19 52.21 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.81 -128.57 47.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.84 76.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.693 0.282 . . . . 0.0 110.596 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.13 -40.76 95.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.65 -43.63 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.539 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.52 -43.41 94.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.12 -45.21 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.289 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.09 95.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.58 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.1 mt -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.643 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.52 -39.78 88.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.75 -49.12 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.05 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.88 -46.63 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -124.58 66.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -44.64 95.65 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -83.3 -53.13 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -62.68 -40.92 98.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.51 -174.82 54.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -152.64 159.56 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -150.35 161.15 43.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.608 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -118.09 120.45 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -111.48 24.6 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.2 62.51 8.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.782 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.46 -19.43 28.59 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.882 2.388 . . . . 0.0 112.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -60.64 131.89 52.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.46 99.5 0.22 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.01 -31.56 68.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.878 0.37 . . . . 0.0 110.515 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.25 -37.93 93.76 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -107.5 8.51 29.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 31.2 t -145.04 126.1 14.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.399 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -71.58 138.76 49.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -61.23 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -60.05 -42.98 95.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -74.37 157.94 85.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -77.38 59.59 6.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.779 2.319 . . . . 0.0 112.226 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -110.59 26.55 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 98.5 m -59.42 -46.1 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.55 158.56 26.87 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . 0.41 HG22 HD11 ' X' ' 44' ' ' ILE . 90.9 mt -62.23 -46.18 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.3 -46.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.775 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.15 -37.3 86.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.522 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.1 -52.67 64.36 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.086 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.81 -40.07 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.919 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.82 -46.45 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.743 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -88.15 -67.18 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.452 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -81.24 149.58 28.96 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -81.51 89.13 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.436 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -75.15 143.34 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.47 150.66 48.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.54 -38.12 88.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -60.21 -45.85 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.424 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -62.86 -38.75 92.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.035 0.445 . . . . 0.0 110.302 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.11 -37.54 80.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 -179.368 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.78 -20.54 61.66 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.652 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.55 -30.64 70.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.703 0.287 . . . . 0.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 16.0 m-85 -78.74 1.38 23.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -179.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.43 153.05 24.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 110.529 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -71.62 157.43 89.82 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.466 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -73.75 156.86 48.53 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.862 2.375 . . . . 0.0 112.313 -179.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 95.4 mt -68.71 143.93 54.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.593 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 51.7 tptt 49.55 63.62 9.94 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.29 162.92 39.25 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.887 2.392 . . . . 0.0 112.162 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.06 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.532 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.08 -41.57 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.633 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 72.1 m -64.76 -40.31 95.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.37 178.69 46.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.01 173.84 12.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.115 2.543 . . . . 0.0 111.801 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 57.62 48.58 13.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.508 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 60.0 p -128.15 162.99 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.614 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 75.8 mt -106.42 123.23 47.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.393 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -164.12 146.79 9.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.781 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.07 -127.32 44.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.93 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.22 -40.61 96.7 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.215 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.5 tp -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.52 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.45 -46.04 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.22 -42.96 99.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.63 -39.87 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.82 -43.52 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.35 -42.51 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.455 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.49 -50.5 71.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.928 0.394 . . . . 0.0 111.782 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.38 -49.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.36 -38.68 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.55 -129.21 39.33 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.89 -39.49 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.23 -177.27 48.84 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -151.51 161.32 42.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.516 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.92 162.32 40.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.466 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -116.26 -25.49 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -157.69 106.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -72.1 156.94 90.23 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -39.98 83.79 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.462 2.108 . . . . 0.0 112.077 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -128.59 129.97 46.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.06 1.17 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -78.04 123.95 27.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.704 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.36 -1.75 84.35 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -115.64 -19.36 10.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 30.8 t -93.76 98.17 10.92 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.953 0.406 . . . . 0.0 110.597 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m 51.89 28.34 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 48.87 31.04 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -148.34 138.42 22.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.232 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.45 79.0 71.46 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.35 57.81 5.52 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.76 2.307 . . . . 0.0 112.008 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -104.59 14.9 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.883 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -118.09 135.32 54.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.54 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.63 -14.91 32.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 92.2 mt -61.6 -48.05 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 117.002 0.401 . . . . 0.0 110.429 179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 51.7 t -64.01 -45.16 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.679 179.081 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.38 -38.65 90.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.85 -51.13 70.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.36 -40.48 70.62 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.162 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.0 t -61.58 -47.98 83.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.786 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -85.7 -69.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 0.0 110.349 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -79.58 162.12 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.747 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -90.81 95.69 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.449 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -81.13 138.25 35.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.369 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -65.74 145.86 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.49 -39.06 93.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.399 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.85 -46.28 89.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -62.63 -39.35 93.53 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 11.4 tp -60.66 -31.83 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.532 -179.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -30.26 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 72.8 mtm -61.47 -20.62 63.36 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.7 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -76.32 -8.72 57.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.899 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -69.91 146.86 50.91 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.361 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.6 162.81 72.25 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.362 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 51.9 Cg_exo -51.99 141.81 45.69 Favored 'Trans proline' 0 C--N 1.302 -1.873 0 C-N-CA 122.999 2.466 . . . . 0.0 111.79 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 9.2 mp -68.91 141.4 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 -179.657 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -70.76 153.43 94.85 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -70.62 155.33 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.777 2.318 . . . . 0.0 112.347 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . 65.21 68.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -61.44 -39.1 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.557 -179.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -62.35 -23.91 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.564 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.616 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.4 60.34 7.2 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 -12.11 31.78 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.791 2.327 . . . . 0.0 112.527 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -90.48 -2.52 57.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.313 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -115.57 126.39 54.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.492 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.53 105.62 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.27 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 84.2 m -132.02 156.57 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.57 -124.31 35.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.46 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.536 0.208 . . . . 0.0 110.753 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.01 -47.45 80.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.892 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.42 -45.77 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.03 -42.02 98.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.85 98.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.736 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.62 -43.04 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -65.41 -40.75 93.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.74 -48.61 81.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.38 -45.67 95.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.8 m -126.36 69.27 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.698 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 -68.53 1.63 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.56 -46.29 86.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -63.61 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.35 174.74 50.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.21 158.42 43.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.604 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -154.47 163.72 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.67 -27.38 8.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.723 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -173.19 -70.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -142.78 72.08 19.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.94 -36.65 84.36 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.717 2.278 . . . . 0.0 111.96 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 95.4 m -120.24 128.49 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.67 126.94 2.03 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -65.67 133.5 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.674 0.273 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.63 175.74 41.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 67.7 m -104.18 3.49 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.614 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 47.6 p -66.55 -12.53 58.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.675 0.274 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -59.08 -28.05 66.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.371 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -69.55 -33.31 72.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.13 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -68.32 -41.95 80.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . 50.54 63.94 9.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.595 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.68 68.85 2.89 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.819 2.346 . . . . 0.0 112.257 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -91.82 31.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.591 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 63.8 p -127.27 161.94 27.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.58 -105.89 2.33 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.49 -44.96 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.2 -45.96 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.64 -39.32 93.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.88 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.919 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -71.84 -40.77 68.84 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.076 0.465 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.33 -47.53 85.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.854 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -84.76 -72.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.38 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -81.13 163.2 23.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -88.85 94.17 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.327 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -76.37 147.27 38.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.96 140.47 57.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.01 -40.02 95.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -59.68 -49.08 79.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.507 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -61.31 -36.71 80.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.018 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -58.98 -35.46 73.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.365 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -58.34 -17.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 89.0 mmm -60.12 -37.06 78.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.414 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -81.27 28.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.311 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.56 147.31 29.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.28 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.0 149.56 93.41 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.425 -179.582 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.53 155.88 54.53 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.918 2.412 . . . . 0.0 112.38 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.49 144.9 37.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.36 158.5 87.87 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.645 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.16 142.02 87.11 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.593 2.195 . . . . 0.0 112.042 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.89 151.93 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -152.61 158.7 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.656 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 47.9 t -149.34 145.48 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.24 -171.15 53.19 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.43 162.96 28.51 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 123.188 2.592 . . . . 0.0 111.901 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 61.82 47.17 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.457 . . . . 0.0 110.413 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 70.9 p -130.68 158.52 39.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt 48.65 67.24 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.195 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.25 84.71 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.111 0.481 . . . . 0.0 110.554 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.99 -139.81 8.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.58 75.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.579 0.228 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.78 -42.21 92.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.539 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.15 -47.94 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.619 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.27 -45.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.151 0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.81 -39.33 93.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.48 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -66.74 -41.22 88.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.3 -49.35 77.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.85 -45.91 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.32 62.68 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.788 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.71 95.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.516 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.13 -51.69 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.54 -39.92 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.95 -176.42 53.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.1 159.22 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.863 0.363 . . . . 0.0 110.567 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -100.58 -9.94 21.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 88.5 t80 62.19 -86.72 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.112 0 O-C-N 123.233 0.333 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -119.01 14.69 13.24 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.519 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 48.74 72.69 1.18 Allowed Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-O 120.853 0.359 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.24 -17.72 59.1 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.177 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.1 p -108.65 20.65 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.464 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.33 15.33 46.74 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.13 -39.87 95.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.945 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.34 94.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -95.01 -1.35 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.594 0.235 . . . . 0.0 110.94 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -65.0 -21.59 66.87 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.657 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p 63.51 -165.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -135.67 159.35 41.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.24 83.03 67.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.68 74.15 1.73 Allowed 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.88 2.386 . . . . 0.0 112.031 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -143.92 108.16 4.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.242 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 13.7 t -47.96 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.59 118.2 5.17 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 tt -57.36 -40.15 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.747 0.308 . . . . 0.0 110.459 179.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.6 t -63.29 -45.32 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.19 -38.71 92.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.83 -51.28 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.384 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.4 -40.73 70.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.24 -50.42 73.14 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -83.33 -67.48 0.79 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.21 162.65 23.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.496 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -91.61 83.72 5.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.413 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.0 p -67.77 134.01 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.67 151.17 42.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.0 -40.4 95.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -60.5 -48.01 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -63.24 -36.61 84.23 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.66 -36.94 77.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.533 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -58.73 -17.59 24.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.3 mtp -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 111.008 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -75.02 -8.49 56.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -70.8 152.48 43.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.47 150.37 96.01 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.94 160.48 45.84 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 123.074 2.516 . . . . 0.0 112.176 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.28 145.75 53.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.4 160.77 81.56 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.707 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.24 142.11 97.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.686 2.258 . . . . 0.0 112.103 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.55 155.41 41.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 55.82 38.9 30.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 68.5 m -121.36 146.99 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.597 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.77 -65.8 0.58 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.17 63.39 6.95 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.8 2.333 . . . . 0.0 112.045 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.71 118.08 21.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.402 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 11.5 t -149.7 153.42 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 mt 59.33 47.55 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.544 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.0 146.62 45.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.481 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.42 -123.18 32.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.43 -40.86 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.319 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 tp -62.61 -48.16 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.415 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.78 -46.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.67 98.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.01 -42.69 99.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.44 -40.74 93.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.44 -49.67 76.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.55 -43.46 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.494 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 70.7 m -121.06 64.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.94 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.76 99.53 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -91.48 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.147 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.33 -41.19 96.92 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.01 175.28 38.73 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -149.31 159.42 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -131.44 -32.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 t80 60.98 156.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -86.74 97.82 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.173 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.95 154.03 92.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.5 -24.4 56.51 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.563 2.176 . . . . 0.0 112.237 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 61.1 p -132.92 161.55 33.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.13 107.55 0.35 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -71.87 -27.88 63.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.779 0.323 . . . . 0.0 110.66 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.84 -41.22 97.58 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -173.33 59.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -171.28 78.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 68.7 p -70.02 -19.05 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -70.38 150.03 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -110.44 135.92 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.92 71.97 79.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.624 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.01 69.2 4.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.803 2.336 . . . . 0.0 112.135 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -127.14 93.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.479 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 58.6 p -73.91 163.66 27.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.34 -66.48 0.08 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.56 -47.37 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 122.64 -0.329 . . . . 0.0 110.73 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.2 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.75 -37.17 85.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.67 -51.63 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.856 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.84 -40.17 69.24 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -86.62 -67.27 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.462 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.71 162.68 24.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.672 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.64 85.74 5.78 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.182 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.1 p -67.38 150.46 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.92 139.19 58.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.49 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.74 -39.4 94.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.414 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -60.05 -44.92 94.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.583 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.44 -39.94 92.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.949 0.404 . . . . 0.0 110.579 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . 0.403 ' O ' ' HB2' ' X' ' 61' ' ' TYR . 9.6 tp -59.46 -35.71 74.58 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.5 -37.01 72.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.77 0.319 . . . . 0.0 110.692 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.62 -13.49 32.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . 0.403 ' HB2' ' O ' ' X' ' 58' ' ' LEU . 13.1 m-30 -73.8 -24.74 59.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.11 0.481 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 65.2 m -66.96 169.95 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.233 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.73 154.35 94.37 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.45 158.99 40.18 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 123.151 2.568 . . . . 0.0 112.128 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 3.3 pp -142.77 158.68 43.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.583 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -80.15 160.33 68.53 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.37 142.93 98.06 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.65 95.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.722 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -63.33 133.11 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.484 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -124.91 146.59 49.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.94 -179.2 47.93 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.65 152.86 75.63 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 123.426 2.751 . . . . 0.0 111.715 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -146.02 127.94 15.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.708 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -129.94 160.68 32.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.803 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -109.31 118.4 36.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.72 138.86 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.295 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.19 -148.44 18.89 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.25 -42.03 94.48 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.539 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.5 tp -63.21 -46.9 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.495 179.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.4 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.27 -40.13 95.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.82 93.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.473 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.1 mt -61.14 -42.17 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.726 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.3 -41.91 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.23 -50.53 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.553 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.36 -49.01 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -68.97 -37.24 78.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.653 . . . . 0.0 110.245 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.45 46.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.89 -34.56 71.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.69 0.281 . . . . 0.0 110.486 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -61.4 -39.48 90.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.569 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.37 -163.68 30.83 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -156.41 162.5 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.678 0.275 . . . . 0.0 110.464 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -146.67 165.35 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.483 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -114.84 134.51 55.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -90.37 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.381 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 49.13 62.14 12.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.41 -22.32 52.48 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.794 2.329 . . . . 0.0 112.093 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -132.11 159.62 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.11 98.83 1.73 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.35 134.83 57.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.705 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.49 138.7 14.95 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -105.15 -0.97 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.597 0.237 . . . . 0.0 110.777 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -65.21 -22.41 66.88 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.73 0.3 . . . . 0.0 110.562 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 88.3 p -157.25 161.59 39.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -62.85 -40.01 96.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -67.76 148.02 51.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.66 160.47 58.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.68 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -74.69 64.25 5.75 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.688 2.259 . . . . 0.0 112.057 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -99.55 11.04 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -114.75 133.07 56.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.58 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.69 179.04 30.3 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 pt -64.16 -30.59 50.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 51.4 t -62.71 -47.15 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 -38.65 90.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.1 70.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.104 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.9 m -71.95 -40.79 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.9 t -60.42 -47.8 84.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.84 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.13 -69.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.42 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -80.41 160.82 25.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.596 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -88.99 100.28 13.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.53 135.0 33.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.511 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -76.59 158.07 31.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.68 -39.83 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.22 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -59.63 -46.56 88.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.219 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.73 -38.95 90.55 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 120.994 0.426 . . . . 0.0 110.18 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 10.9 tp -56.41 -32.57 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -63.77 -21.83 66.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.94 -35.41 80.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.97 0.414 . . . . 0.0 110.615 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.07 -15.04 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 152.28 44.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -68.77 157.4 88.77 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.55 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 59.1 Cg_endo -73.91 154.86 48.36 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.94 2.426 . . . . 0.0 112.108 -179.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.16 144.25 52.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 47.57 62.03 12.66 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.08 152.55 72.82 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.753 2.302 . . . . 0.0 112.195 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.83 91.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 54.82 42.96 30.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -70.58 160.45 32.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.456 -1.457 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.44 -174.28 46.09 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.52 151.17 81.68 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 123.312 2.675 . . . . 0.0 111.639 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -145.2 126.59 14.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.501 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -148.59 152.11 36.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.66 125.13 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -159.51 137.43 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.329 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.09 -149.63 18.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.56 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.534 0.207 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.26 -41.68 93.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.35 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.1 tp -62.3 -47.13 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.403 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.56 -45.82 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.25 -39.07 91.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.86 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.179 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.0 mt -61.71 -42.99 99.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.623 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -65.41 -40.64 93.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.194 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.09 -50.29 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.706 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.13 -47.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.6 m -66.98 -37.8 84.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.8 -128.8 45.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.37 -34.91 71.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.683 0.277 . . . . 0.0 110.574 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -61.18 -39.09 88.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.474 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.33 -172.49 26.64 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -152.44 162.81 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -146.74 168.05 22.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -113.36 153.96 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.96 149.22 23.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.53 152.33 85.94 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.85 -19.9 46.16 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -60.9 131.38 50.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.711 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.76 34.37 0.92 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -68.17 141.22 56.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.85 158.63 53.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -118.66 -23.93 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.679 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -61.92 -46.09 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 72.9 p -137.13 18.83 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 58.03 47.32 14.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.02 141.63 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.88 73.77 81.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.41 73.5 2.18 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.84 2.36 . . . . 0.0 112.181 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -92.26 10.92 27.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 8.7 t -148.29 149.79 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.15 -71.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.8 pt -62.83 -32.55 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.646 -179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.6 t -63.37 -47.31 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.26 -39.48 94.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.28 -50.8 71.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.443 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.33 -40.51 67.39 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.12 -47.09 87.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.031 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.52 -67.96 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.195 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.54 163.69 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -92.67 99.45 12.14 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.237 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.6 133.67 34.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.49 152.52 42.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.96 -39.69 95.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.728 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.27 -47.11 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.563 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.07 -40.26 95.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 120.93 0.395 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 7.6 tp -56.64 -32.1 65.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.143 -179.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.2 -33.31 70.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.805 0.336 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 78.2 mtm -68.51 -11.33 59.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.42 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 12.7 m-30 -76.58 -17.5 59.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.82 156.62 23.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.91 163.92 56.35 Favored Pre-proline 0 N--CA 1.446 -0.645 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.367 -179.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 50.4 Cg_exo -52.25 143.27 43.4 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.0 2.466 . . . . 0.0 111.839 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.88 145.7 50.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.758 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 50.49 68.45 3.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.08 139.4 90.45 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.26 24.86 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -133.16 -31.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -62.01 -39.91 93.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.61 172.97 55.15 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.23 66.05 5.3 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.78 2.32 . . . . 0.0 112.148 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 57.02 47.02 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -125.63 159.67 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 71.9 mt -102.51 110.15 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.467 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -132.71 157.68 44.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.37 -126.13 41.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.25 80.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.661 0.267 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.15 -42.04 97.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.89 -41.78 91.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.93 -43.53 92.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.919 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.72 -43.85 97.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.258 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.66 -42.26 98.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.734 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 44.3 mt -61.71 -42.84 99.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.43 -40.35 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.463 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.93 -49.52 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.68 -43.64 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -68.87 -18.3 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.335 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.71 55.63 3.13 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 60.29 42.76 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -130.69 118.15 20.5 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 109.881 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 154.6 28.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -127.18 145.46 50.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -62.74 -33.95 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.859 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 81.0 t80 60.74 155.27 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t30 64.94 89.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 111.055 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.92 158.69 85.54 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.801 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.65 -32.79 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.653 2.235 . . . . 0.0 111.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t -142.47 146.91 35.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.361 . . . . 0.0 110.533 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.85 22.79 2.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -106.27 127.64 53.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.395 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.5 -176.68 49.6 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 80.7 p -114.68 9.95 16.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -156.85 138.61 14.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.382 0.61 . . . . 0.0 110.475 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -64.45 152.58 41.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.223 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 57.68 16.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.655 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -136.69 151.98 49.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.787 0.327 . . . . 0.0 110.316 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . 51.56 63.41 9.48 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.764 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.07 67.84 5.0 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.915 2.41 . . . . 0.0 112.041 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -105.71 18.09 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 98.6 m -60.06 -46.78 88.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.07 117.45 1.17 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 81.9 mt -61.95 -47.56 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.714 0.293 . . . . 0.0 110.672 179.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.57 -44.14 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.149 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.82 -39.43 94.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.88 -51.1 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.083 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.84 -40.64 68.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -61.4 -48.52 80.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -85.16 -68.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.187 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.89 162.09 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.741 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -91.38 90.74 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.161 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 28.8 p -72.71 142.72 48.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.69 139.39 58.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.06 -48.26 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -63.71 -37.77 88.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.912 0.386 . . . . 0.0 110.23 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 7.5 tp -58.73 -31.26 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.407 -179.323 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -57.58 -31.99 66.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.439 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.96 -19.62 64.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 13.3 m-30 -76.59 -11.77 59.92 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.4 160.81 24.01 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.16 92.96 41.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.81 140.27 90.94 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.821 2.348 . . . . 0.0 111.804 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.29 147.73 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.729 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -125.63 70.5 65.05 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.966 0.412 . . . . 0.0 110.297 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.11 152.74 62.55 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.892 2.395 . . . . 0.0 112.051 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.8 97.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.778 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -61.45 -45.19 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.619 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m 55.46 37.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.629 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.29 -162.64 51.69 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.62 71.52 3.21 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.818 2.346 . . . . 0.0 112.169 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 57.75 44.1 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.626 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 98.6 m -112.04 127.51 55.92 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.57 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 66.8 mt -119.68 102.09 8.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 77.2 m -129.38 157.1 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.84 -124.74 37.12 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.83 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.638 0.256 . . . . 0.0 110.421 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.33 -43.07 92.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.16 -47.4 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.58 -46.66 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.6 -41.09 98.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.9 -42.2 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 80.0 mt -61.61 -42.25 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.95 -38.84 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.229 0.538 . . . . 0.0 110.184 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.29 -48.63 80.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -62.06 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.46 -77.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.09 30.53 75.9 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.69 -78.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.757 0.313 . . . . 0.0 110.666 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -62.25 -39.41 92.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.485 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.84 174.97 22.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.7 p90 -147.58 151.13 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -152.67 163.82 38.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -126.16 139.17 53.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.571 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -85.08 177.62 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -81.13 151.99 70.6 Favored Pre-proline 0 N--CA 1.454 -0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.718 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.25 -29.0 39.53 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.748 2.299 . . . . 0.0 112.204 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -123.73 128.14 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.88 -4.31 6.47 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -125.69 144.65 50.51 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.674 0.273 . . . . 0.0 110.586 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.51 157.63 33.42 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 69.4 m -113.78 4.87 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.801 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -146.56 123.88 11.61 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 99.6 p -65.29 -28.92 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.7 -44.51 96.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.405 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -66.98 -41.06 87.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.579 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.29 73.37 81.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.0 72.35 6.22 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.883 2.389 . . . . 0.0 112.041 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 53.43 47.9 23.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -112.61 132.47 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.662 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.13 135.84 11.92 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 44' ' ' ILE . . . . . 0.408 ' HB ' ' CZ ' ' X' ' 61' ' ' TYR . 43.4 pt -59.83 -27.6 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.9 -46.2 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.811 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -32.48 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.29 -52.26 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.735 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.66 -40.68 66.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.718 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.5 t -60.37 -48.85 79.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.799 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -86.38 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -80.2 161.65 25.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.323 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -88.83 114.47 25.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.58 137.54 48.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.367 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.15 147.41 50.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.17 0.51 . . . . 0.0 110.909 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.91 -35.58 81.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -56.24 -48.42 76.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.66 -22.55 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.11 -34.18 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -53.42 -22.59 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.57 -9.53 43.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 61' ' ' TYR . . . . . 0.408 ' CZ ' ' HB ' ' X' ' 44' ' ' ILE . 4.2 m-30 -70.91 -31.67 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.672 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.1 163.18 20.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.26 162.32 41.47 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 -179.507 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -50.92 139.74 40.44 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.737 2.291 . . . . 0.0 112.047 -179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.21 25.05 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.03 73.26 81.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.144 0.497 . . . . 0.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.05 144.54 94.58 Favored 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 122.797 2.331 . . . . 0.0 112.004 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.93 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.34 -39.66 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -62.55 139.63 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.863 0.363 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 41.2 t -161.52 136.07 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.55 -147.57 18.58 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.32 84.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 110.544 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.77 -40.49 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.458 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' X' ' 45' ' ' VAL . 69.4 tp -61.32 -46.04 91.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.982 0.42 . . . . 0.0 110.516 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.91 -41.61 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 0.0 110.662 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.75 -41.9 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.503 HD21 HD11 ' X' ' 58' ' ' LEU . 60.4 mt -62.46 -41.88 99.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.32 -41.63 96.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.371 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.96 -50.46 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.91 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -68.75 -38.48 80.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.698 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 -170.33 32.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.04 -14.27 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.626 0.25 . . . . 0.0 110.785 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -60.42 -38.08 82.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.42 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.73 -172.61 27.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -156.86 168.64 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 -179.491 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.607 0.241 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 45' ' ' VAL . . . . . 0.405 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.7 t -63.4 -47.55 91.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.058 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.56 -38.83 92.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.78 -50.66 71.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.332 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 48' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' X' ' 58' ' ' LEU . 86.9 m -71.64 -40.9 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.262 0.553 . . . . 0.0 111.18 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.41 -48.93 79.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.954 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.37 -71.53 0.5 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.005 0.431 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -81.25 162.48 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.477 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -89.18 101.29 13.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.257 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 136.07 33.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.54 151.93 42.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.57 -40.06 95.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.13 -47.79 84.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -64.47 -37.53 87.87 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.503 HD11 HD21 ' X' ' 15' ' ' LEU . 12.6 tp -58.72 -33.61 70.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.43 -20.94 65.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.5 mtp -62.95 -34.09 76.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.772 0.32 . . . . 0.0 110.738 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.17 -10.26 59.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.8 m -75.6 162.03 28.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.358 -179.683 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.773 0.32 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -162.2 145.87 11.95 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.778 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.28 -128.75 44.65 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.03 79.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.654 0.264 . . . . 0.0 110.634 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.04 -42.47 98.53 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.464 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.8 -42.53 85.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.42 -44.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.11 -44.56 96.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.33 98.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -60.77 -43.52 97.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.21 -40.97 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.83 -50.15 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.14 -44.28 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -119.1 62.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.61 99.76 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -98.58 -40.01 8.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.18 -40.18 95.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 -176.68 44.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -156.7 163.32 39.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.64 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 pt . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.05 -45.33 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.22 -39.12 93.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.529 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.18 -51.18 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.255 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 93.9 m -71.35 -40.59 70.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.185 0.517 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.45 -48.02 83.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.917 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -85.83 -67.31 0.82 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.048 0.451 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -80.96 162.26 23.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.537 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.0 t -91.94 91.92 8.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.38 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -77.58 149.69 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.43 154.12 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.523 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.09 -37.38 86.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -57.59 -41.0 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -86.18 -18.45 32.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -63.43 -11.84 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.9 mtp -65.29 -37.03 85.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -77.49 -10.07 59.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.787 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -80.63 147.92 30.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 110.428 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 -179.627 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 6' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' X' ' 14' ' ' ALA . 83.3 mt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -165.1 151.16 9.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.767 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -131.8 52.23 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.68 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.695 0.283 . . . . 0.0 110.726 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.49 -42.07 95.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 110.209 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.35 -43.79 96.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.2 -47.19 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 0.0 110.92 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.87 -42.72 97.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.39 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 14' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.66 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.3 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.76 -41.96 95.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.319 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.46 -49.51 76.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.385 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.77 -46.89 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.75 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 79.0 m -76.52 -19.32 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.641 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.79 -153.6 44.12 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -17.6 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.657 0.265 . . . . 0.0 110.703 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -60.5 -38.02 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.65 -173.0 47.11 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -151.03 161.31 42.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.007 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 44.2 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.348 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.434 HG23 ' CE1' ' X' ' 61' ' ' TYR . 82.0 mt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.9 -46.81 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.58 -39.9 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -50.38 72.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.174 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m -70.51 -41.13 73.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.935 0.398 . . . . 0.0 110.96 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.86 -48.19 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.746 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -87.11 -68.0 0.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.123 0.487 . . . . 0.0 110.668 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.6 167.47 20.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 71.8 m -94.94 84.56 4.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -69.31 144.73 53.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.475 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.02 145.52 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.986 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.23 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.46 -46.78 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.89 -37.0 84.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.994 0.426 . . . . 0.0 110.312 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.56 -33.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.429 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.86 -22.57 64.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 84.2 mmm -60.61 -34.57 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.745 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.8 m-85 -78.29 6.94 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -74.77 165.76 24.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.829 0.347 . . . . 0.0 110.248 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 63' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' X' ' 25' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.891 0.377 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -137.82 151.35 48.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.79 -152.01 20.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.44 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.74 0.305 . . . . 0.0 110.337 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.3 -41.91 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.555 HD23 HG13 ' X' ' 45' ' ' VAL . 59.4 tp -64.82 -43.07 94.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.857 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.83 -42.26 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.744 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.33 -39.34 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.29 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.09 94.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' X' ' 58' ' ' LEU . 75.4 mt -60.8 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -66.44 -38.64 87.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.09 -49.62 76.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 18' ' ' VAL . . . . . 0.704 HG21 HD22 ' X' ' 58' ' ' LEU . 70.7 t -64.16 -46.58 93.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.7 -38.2 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.32 -130.44 48.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.68 -34.85 71.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.753 0.311 . . . . 0.0 110.615 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -61.74 -38.12 86.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 -168.01 18.65 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.83 159.72 41.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' X' ' 44' ' ' ILE . 24.0 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.674 0.273 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 45' ' ' VAL . . . . . 0.555 HG13 HD23 ' X' ' 11' ' ' LEU . 48.9 t -66.61 -46.35 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.79 -37.02 86.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.714 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.41 -51.63 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.914 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -71.51 -41.02 69.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.988 0.423 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.6 -48.32 82.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.751 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -86.38 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -79.45 162.8 25.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.536 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -92.23 87.91 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.473 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -76.03 154.66 35.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 54' ' ' ASP . . . . . 0.427 ' O ' HD12 ' X' ' 58' ' ' LEU . 98.6 m-20 -105.39 171.22 7.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.51 -35.43 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.93 -42.95 90.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.688 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.704 HD22 HG21 ' X' ' 18' ' ' VAL . 1.8 mp -61.03 -42.04 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.578 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.7 -37.41 84.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.29 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.744 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.53 -25.47 61.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.45 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.4 156.74 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.499 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.232 0.168 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t 71.63 164.84 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.59 0.556 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.75 -129.43 48.4 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.98 75.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.659 0.266 . . . . 0.0 110.318 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.34 -36.65 82.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.127 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.461 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.2 OUTLIER -64.64 -50.36 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.55 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.29 -45.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 -42.56 94.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.023 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.12 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.039 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.02 -42.5 99.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.84 -41.51 91.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -63.52 -50.89 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.841 0.353 . . . . 0.0 111.361 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.7 -49.67 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.366 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.31 -39.47 85.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.1 -126.81 41.41 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.54 -35.0 71.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.419 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 96.5 mtm-85 -60.75 -39.14 87.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.96 -173.71 34.55 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -152.51 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.733 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.42 HG23 ' CE1' ' X' ' 61' ' ' TYR . 81.1 mt . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.716 0.293 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.92 -46.13 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.62 -39.04 93.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.33 -51.04 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.475 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.5 m -71.21 -40.45 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.264 0.554 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.0 t -61.23 -48.66 80.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.995 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -86.92 -67.09 0.84 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.63 165.51 21.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.5 m -94.01 85.14 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -68.35 148.11 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.67 141.42 55.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.81 -40.09 95.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.459 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -59.54 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.46 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -62.55 -38.28 89.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' X' ' 61' ' ' TYR . 14.8 tp -59.41 -35.43 73.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -54.42 -23.31 15.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.634 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 87.7 mmm -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.42 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.2 m-85 -80.51 28.11 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.49 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.3 m -100.01 145.61 27.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 63' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.462 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.713 0.292 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -137.14 160.22 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.44 -148.06 38.28 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.92 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 110.687 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -56.4 -46.71 80.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.308 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.01 -41.17 97.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.36 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.73 -43.79 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.04 -41.72 97.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.55 94.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.454 HD21 HD11 ' X' ' 58' ' ' LEU . 76.6 mt -61.92 -43.29 99.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.525 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.68 -41.05 92.9 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.09 -49.98 75.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.673 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.6 -48.37 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.032 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 90.8 m -67.43 -37.73 83.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.171 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -129.57 42.11 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.91 -32.01 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.51 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.49 -39.48 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 -171.66 44.71 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -153.55 161.69 41.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.31 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.349 -179.805 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 pt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.737 0.303 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.27 -48.24 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.93 -42.58 97.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.11 -50.8 71.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.565 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -70.94 -40.54 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.53 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.62 -47.26 86.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -86.63 -69.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -79.77 163.44 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.503 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -89.4 113.5 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.47 135.88 48.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -76.45 151.48 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.37 -36.48 84.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.18 -49.04 77.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.745 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.13 -23.07 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.484 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.454 HD11 HD21 ' X' ' 15' ' ' LEU . 15.7 tp -65.12 -38.98 92.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.892 0.377 . . . . 0.0 110.129 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.47 -21.09 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -77.39 0.32 22.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -69.21 150.6 47.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 110.149 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.795 0.331 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -162.8 134.18 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.1 -146.81 16.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.8 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.21 -43.94 95.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.657 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.6 tp -62.79 -47.29 84.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.968 0.413 . . . . 0.0 110.541 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.75 -43.98 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.13 0.49 . . . . 0.0 110.613 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.98 -39.42 92.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.75 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.771 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.34 95.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.376 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -67.04 -50.33 62.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.791 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.39 -49.81 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.186 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.6 m -71.27 -41.97 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.36 -130.34 43.76 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.23 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.745 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.527 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 -172.94 50.75 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -155.35 164.66 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.819 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.708 0.289 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 45' ' ' VAL . . . . . 0.459 ' HA ' HD21 ' X' ' 11' ' ' LEU . 54.1 t -63.64 -48.33 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.039 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.59 -39.47 93.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.91 -51.42 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.678 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -70.93 -40.58 72.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 111.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.49 -47.47 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.94 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -86.3 -70.47 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -80.25 165.19 22.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -89.64 119.4 30.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 p -113.1 134.4 54.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.56 154.77 40.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.5 -39.77 94.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.97 -46.45 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.51 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -64.04 -38.99 93.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.25 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.1 tp -59.77 -35.94 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.872 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.23 -35.33 73.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 74.2 mtm -60.75 -19.5 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.461 ' CD1' HD12 ' X' ' 58' ' ' LEU . 18.2 m-30 -75.51 -11.59 60.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.617 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -67.74 147.26 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.353 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.388 -179.692 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.17 151.15 51.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.8 -125.87 40.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.36 77.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.6 0.238 . . . . 0.0 110.584 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.96 -43.59 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.509 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.12 -42.24 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.998 0.428 . . . . 0.0 110.583 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.81 -44.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.51 -45.76 92.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.419 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.63 -42.59 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -65.86 -40.7 91.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.78 -50.87 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.646 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.83 -48.88 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.297 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -67.54 -39.41 85.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 0.0 110.191 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.71 -131.93 49.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -58.25 -33.66 69.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.401 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -62.17 -39.31 92.23 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.74 -167.36 29.81 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -155.79 160.0 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.514 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.462 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.561 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 84.3 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -62.43 -46.35 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.37 -37.8 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.763 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.81 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.25 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 92.2 m -71.86 -40.03 69.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 110.94 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.83 -47.34 86.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.871 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -88.22 -67.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 0.0 110.54 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -78.73 159.35 27.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -89.59 90.5 8.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -75.79 143.87 41.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 136.95 57.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.03 -40.86 99.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.57 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.69 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -64.01 -22.47 66.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.199 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.497 HD12 ' HE1' ' X' ' 61' ' ' TYR . 6.4 tp -55.4 -24.78 31.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -62.41 -13.34 28.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 85.3 mmm -62.92 -38.48 91.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 110.497 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.561 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 2.9 m-85 -77.84 -18.84 55.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.604 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 99.3 m -67.51 158.8 31.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.441 -179.431 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 6' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' X' ' 14' ' ' ALA . 78.3 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -150.26 150.77 31.98 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.71 -127.88 44.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.32 77.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.65 0.262 . . . . 0.0 110.676 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.49 -40.96 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.56 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.45 -49.16 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.95 -45.59 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.71 -42.81 99.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.763 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 14' ' ' ALA . . . . . 0.402 ' CB ' HD13 ' X' ' 6' ' ' LEU . . . -63.02 -41.22 99.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' X' ' 24' ' ' PHE . 70.6 mt -61.74 -42.92 99.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.401 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.52 -39.98 88.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.193 0.521 . . . . 0.0 110.384 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.29 -48.93 79.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.263 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -69.93 -47.65 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -128.38 72.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.753 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -72.41 0.94 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.05 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.59 -40.28 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.667 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.12 174.73 50.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 24' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' X' ' 15' ' ' LEU . 48.1 p90 -154.14 159.86 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.733 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.419 HG23 ' CE1' ' X' ' 61' ' ' TYR . 87.5 mt . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.769 0.319 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.17 -45.12 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.11 -40.25 97.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.39 -51.61 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.474 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.97 -40.25 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 111.124 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.82 -47.93 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.62 -71.08 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -80.19 165.77 22.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -92.01 91.11 7.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.67 146.86 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.573 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.08 145.74 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.54 -39.16 93.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.397 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.87 -45.48 92.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.71 -39.29 93.55 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.925 0.393 . . . . 0.0 110.262 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.29 -36.83 76.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.507 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.33 -20.98 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.33 -36.51 80.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 0.0 110.63 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.7 m-85 -80.73 24.72 0.47 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.488 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -97.04 156.36 16.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.016 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.545 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.823 0.344 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -164.02 147.64 9.8 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -127.94 46.47 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.69 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.608 0.242 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.09 -41.84 98.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.389 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.82 -43.77 95.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.28 -46.09 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.68 -45.3 93.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.08 97.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.639 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.01 -40.35 97.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.16 -45.59 91.16 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.354 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -62.12 -50.64 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.606 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.0 -42.03 94.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.566 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 61.9 m -99.3 28.89 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.47 139.95 41.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 65.3 7.54 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 22' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 92.7 mtm-85 -127.15 -33.49 2.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.7 175.74 44.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -153.12 158.49 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 110.359 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 -179.533 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 pt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.773 0.32 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.2 -49.01 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.72 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.14 -40.14 94.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.41 -50.91 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.136 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.76 -40.55 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 111.345 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.23 -47.59 83.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -86.19 -67.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.375 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -80.78 163.56 23.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.882 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.81 86.8 6.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 23.6 p -73.1 159.11 34.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.527 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -92.97 148.42 22.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.189 0.519 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.59 -31.32 70.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -58.21 -48.95 78.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.517 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.771 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' X' ' 61' ' ' TYR . 13.3 tp -60.84 -37.09 80.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.72 -26.15 56.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.978 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.7 mtm -63.45 -27.33 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.666 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' X' ' 58' ' ' LEU . 7.0 m-85 -77.22 -3.37 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.2 m -69.33 145.3 53.11 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.142 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 63' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.438 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -164.05 138.92 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -145.06 17.46 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.68 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.73 -43.18 94.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.338 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.43 -43.64 98.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.632 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.49 -44.16 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.76 -40.75 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.88 90.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.14 -44.24 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.04 -41.88 97.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 0.0 110.479 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.03 -50.32 73.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.52 -41.38 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.601 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.3 m -86.1 5.98 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.697 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.86 -129.86 22.51 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -92.91 -3.9 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.003 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -65.62 -39.51 91.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.75 -178.91 39.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.76 166.64 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 110.97 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 p90 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 -179.246 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.728 0.299 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.18 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.75 -37.62 88.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.43 -51.06 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.9 m -72.31 -41.02 67.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -59.65 -49.17 78.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.794 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -83.75 -71.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.014 0.435 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -80.94 161.53 24.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -89.18 96.43 10.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.6 144.23 35.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.0 150.87 30.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.15 -38.96 92.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -58.75 -46.99 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.76 -39.13 93.11 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.727 0.298 . . . . 0.0 110.484 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.11 -28.7 66.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.144 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -61.47 -33.77 74.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.959 0.409 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtm -69.6 -13.85 62.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -76.04 -12.13 60.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 69.9 m -69.43 152.11 45.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 91.4 m -130.42 148.19 52.21 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.81 -128.57 47.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.84 76.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.693 0.282 . . . . 0.0 110.596 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.13 -40.76 95.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.65 -43.63 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.539 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.52 -43.41 94.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.12 -45.21 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.289 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.09 95.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.58 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.577 HD21 HD11 ' X' ' 58' ' ' LEU . 74.1 mt -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.643 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.52 -39.78 88.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.75 -49.12 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.05 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.88 -46.63 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -124.58 66.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -44.64 95.65 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -83.3 -53.13 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -62.68 -40.92 98.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.51 -174.82 54.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -152.64 159.56 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.608 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.503 HD13 ' CD2' ' X' ' 61' ' ' TYR . 90.9 mt . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.3 -46.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.775 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.15 -37.3 86.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.522 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.1 -52.67 64.36 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.086 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.81 -40.07 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.919 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.82 -46.45 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.743 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -88.15 -67.18 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.452 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -81.24 149.58 28.96 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -81.51 89.13 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.436 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -75.15 143.34 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.47 150.66 48.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.54 -38.12 88.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -60.21 -45.85 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.424 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -62.86 -38.75 92.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.035 0.445 . . . . 0.0 110.302 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.577 HD11 HD21 ' X' ' 15' ' ' LEU . 18.3 tp -60.11 -37.54 80.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.78 -20.54 61.66 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.652 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.55 -30.64 70.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.703 0.287 . . . . 0.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.503 ' CD2' HD13 ' X' ' 44' ' ' ILE . 16.0 m-85 -78.74 1.38 23.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.43 153.05 24.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 110.529 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.466 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 6' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' X' ' 14' ' ' ALA . 75.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.733 0.301 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -164.12 146.79 9.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.781 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.07 -127.32 44.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.93 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.22 -40.61 96.7 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.215 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.437 HD23 HG22 ' X' ' 45' ' ' VAL . 65.5 tp -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.45 -46.04 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.22 -42.96 99.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 14' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.87 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.82 -43.52 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.35 -42.51 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.455 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.49 -50.5 71.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.928 0.394 . . . . 0.0 111.782 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.38 -49.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.36 -38.68 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.55 -129.21 39.33 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.89 -39.49 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.23 -177.27 48.84 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -151.51 161.32 42.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.516 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.2 p90 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.466 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 92.2 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.91 0.386 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 45' ' ' VAL . . . . . 0.437 HG22 HD23 ' X' ' 11' ' ' LEU . 51.7 t -64.01 -45.16 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.679 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.38 -38.65 90.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.85 -51.13 70.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.36 -40.48 70.62 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.162 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.0 t -61.58 -47.98 83.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.786 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -85.7 -69.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 0.0 110.349 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -79.58 162.12 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.747 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -90.81 95.69 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.449 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -81.13 138.25 35.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.369 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -65.74 145.86 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.49 -39.06 93.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.399 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.85 -46.28 89.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -62.63 -39.35 93.53 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.4 tp -60.66 -31.83 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.532 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -30.26 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 72.8 mtm -61.47 -20.62 63.36 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.7 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.564 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 32.2 m-85 -76.32 -8.72 57.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -69.91 146.86 50.91 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.361 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.362 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 84.2 m -132.02 156.57 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.57 -124.31 35.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.46 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.536 0.208 . . . . 0.0 110.753 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.01 -47.45 80.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.892 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.42 -45.77 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.03 -42.02 98.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.85 98.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.736 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.62 -43.04 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -65.41 -40.75 93.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.74 -48.61 81.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.38 -45.67 95.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.8 m -126.36 69.27 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.698 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 -68.53 1.63 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.56 -46.29 86.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 22' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 83.9 mtp180 -63.61 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.35 174.74 50.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.21 158.42 43.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.604 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.2 -45.96 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.64 -39.32 93.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.88 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.919 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -71.84 -40.77 68.84 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.076 0.465 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.33 -47.53 85.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.854 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -84.76 -72.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.38 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -81.13 163.2 23.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -88.85 94.17 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.327 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -76.37 147.27 38.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.96 140.47 57.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.01 -40.02 95.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -59.68 -49.08 79.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.507 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -61.31 -36.71 80.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.018 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -58.98 -35.46 73.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.365 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -58.34 -17.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 89.0 mmm -60.12 -37.06 78.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.414 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -81.27 28.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.311 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.56 147.31 29.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.28 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.469 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.425 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.75 0.31 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.25 84.71 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.111 0.481 . . . . 0.0 110.554 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.99 -139.81 8.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.58 75.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.579 0.228 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.78 -42.21 92.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.539 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.15 -47.94 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.619 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.27 -45.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.151 0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.81 -39.33 93.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.48 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -66.74 -41.22 88.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.3 -49.35 77.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.85 -45.91 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.32 62.68 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.788 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.71 95.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.516 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.13 -51.69 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.54 -39.92 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.95 -176.42 53.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.1 159.22 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.863 0.363 . . . . 0.0 110.567 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.437 HG23 ' N ' ' X' ' 45' ' ' VAL . 8.7 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.747 0.308 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 45' ' ' VAL . . . . . 0.437 ' N ' HG23 ' X' ' 44' ' ' ILE . 55.6 t -63.29 -45.32 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.19 -38.71 92.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.83 -51.28 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.384 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.4 -40.73 70.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.24 -50.42 73.14 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -83.33 -67.48 0.79 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.21 162.65 23.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.496 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -91.61 83.72 5.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.413 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.0 p -67.77 134.01 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.67 151.17 42.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.0 -40.4 95.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -60.5 -48.01 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -63.24 -36.61 84.23 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.66 -36.94 77.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.533 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -58.73 -17.59 24.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.3 mtp -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 111.008 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.415 ' CG ' HD12 ' X' ' 44' ' ' ILE . 19.1 m-85 -75.02 -8.49 56.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -70.8 152.48 43.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.455 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.0 146.62 45.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.481 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.42 -123.18 32.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.43 -40.86 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.319 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 tp -62.61 -48.16 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.415 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.78 -46.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.67 98.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.01 -42.69 99.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.44 -40.74 93.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.44 -49.67 76.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.55 -43.46 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.494 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 70.7 m -121.06 64.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.94 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.76 99.53 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -91.48 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.147 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.33 -41.19 96.92 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.01 175.28 38.73 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -149.31 159.42 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.681 0.277 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.2 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.75 -37.17 85.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.67 -51.63 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.856 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.84 -40.17 69.24 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -86.62 -67.27 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.462 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.71 162.68 24.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.672 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.64 85.74 5.78 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.182 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.1 p -67.38 150.46 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.92 139.19 58.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.49 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.74 -39.4 94.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.414 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -60.05 -44.92 94.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.583 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.44 -39.94 92.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.949 0.404 . . . . 0.0 110.579 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' X' ' 61' ' ' TYR . 9.6 tp -59.46 -35.71 74.58 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.5 -37.01 72.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.77 0.319 . . . . 0.0 110.692 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.62 -13.49 32.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' X' ' 58' ' ' LEU . 13.1 m-30 -73.8 -24.74 59.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.11 0.481 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 65.2 m -66.96 169.95 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.233 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 -179.348 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.72 138.86 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.295 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.19 -148.44 18.89 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.25 -42.03 94.48 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.539 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' X' ' 45' ' ' VAL . 65.5 tp -63.21 -46.9 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.495 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.4 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.27 -40.13 95.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.82 93.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.473 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.456 HD21 HD11 ' X' ' 58' ' ' LEU . 73.1 mt -61.14 -42.17 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.726 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.3 -41.91 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.23 -50.53 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.553 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.36 -49.01 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -68.97 -37.24 78.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.653 . . . . 0.0 110.245 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.45 46.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.89 -34.56 71.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.69 0.281 . . . . 0.0 110.486 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 22' ' ' ARG . . . . . 0.613 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 90.7 mtm180 -61.4 -39.48 90.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.569 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.37 -163.68 30.83 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -156.41 162.5 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.678 0.275 . . . . 0.0 110.464 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.483 -179.761 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' X' X ' 45' ' ' VAL . . . . . 0.425 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.4 t -62.71 -47.15 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 -38.65 90.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.1 70.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.104 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.9 m -71.95 -40.79 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.9 t -60.42 -47.8 84.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.84 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.13 -69.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.42 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -80.41 160.82 25.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.596 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -88.99 100.28 13.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.53 135.0 33.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.511 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -76.59 158.07 31.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.68 -39.83 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.22 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -59.63 -46.56 88.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.219 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.73 -38.95 90.55 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 120.994 0.426 . . . . 0.0 110.18 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.456 HD11 HD21 ' X' ' 15' ' ' LEU . 10.9 tp -56.41 -32.57 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -63.77 -21.83 66.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.94 -35.41 80.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.97 0.414 . . . . 0.0 110.615 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.07 -15.04 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 152.28 44.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 63' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.55 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -159.51 137.43 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.329 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.09 -149.63 18.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.56 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.534 0.207 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.26 -41.68 93.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.35 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.1 tp -62.3 -47.13 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.403 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.56 -45.82 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.25 -39.07 91.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.86 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.179 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.0 mt -61.71 -42.99 99.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.623 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -65.41 -40.64 93.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.194 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.09 -50.29 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.706 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.13 -47.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.6 m -66.98 -37.8 84.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.8 -128.8 45.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.37 -34.91 71.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.683 0.277 . . . . 0.0 110.574 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -61.18 -39.09 88.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.474 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.33 -172.49 26.64 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -152.44 162.81 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 25' ' ' TYR . . . . . 0.409 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 42.0 p90 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.662 0.268 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 45' ' ' VAL . . . . . 0.412 ' HA ' HD21 ' X' ' 11' ' ' LEU . 53.6 t -63.37 -47.31 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.26 -39.48 94.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.28 -50.8 71.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.443 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.33 -40.51 67.39 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.12 -47.09 87.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.031 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.52 -67.96 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.195 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.54 163.69 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -92.67 99.45 12.14 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.237 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.6 133.67 34.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.49 152.52 42.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.96 -39.69 95.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.728 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.27 -47.11 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.563 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.07 -40.26 95.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 120.93 0.395 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' X' ' 61' ' ' TYR . 7.6 tp -56.64 -32.1 65.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.143 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.2 -33.31 70.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.805 0.336 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 78.2 mtm -68.51 -11.33 59.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.42 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' X' ' 58' ' ' LEU . 12.7 m-30 -76.58 -17.5 59.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.82 156.62 23.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 63' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' X' ' 25' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.645 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.367 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 6' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' X' ' 14' ' ' ALA . 71.9 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.758 0.313 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -132.71 157.68 44.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.37 -126.13 41.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.25 80.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.661 0.267 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.15 -42.04 97.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.89 -41.78 91.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.93 -43.53 92.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.919 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.72 -43.85 97.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.258 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 14' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -61.66 -42.26 98.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' X' ' 58' ' ' LEU . 44.3 mt -61.71 -42.84 99.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.43 -40.35 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.463 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.93 -49.52 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.68 -43.64 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -68.87 -18.3 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.335 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.71 55.63 3.13 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 60.29 42.76 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -130.69 118.15 20.5 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 109.881 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 154.6 28.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -127.18 145.46 50.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.859 -179.684 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' X' ' 61' ' ' TYR . 81.9 mt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.714 0.293 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.57 -44.14 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.149 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.82 -39.43 94.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.88 -51.1 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.083 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.84 -40.64 68.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -61.4 -48.52 80.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -85.16 -68.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.187 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.89 162.09 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.741 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -91.38 90.74 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.161 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 28.8 p -72.71 142.72 48.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.69 139.39 58.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.06 -48.26 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -63.71 -37.77 88.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.912 0.386 . . . . 0.0 110.23 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 58' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' X' ' 15' ' ' LEU . 7.5 tp -58.73 -31.26 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.407 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -57.58 -31.99 66.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.439 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.96 -19.62 64.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' X' ' 44' ' ' ILE . 13.3 m-30 -76.59 -11.77 59.92 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.4 160.81 24.01 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.231 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 6' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' X' ' 14' ' ' ALA . 66.8 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.835 0.35 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 77.2 m -129.38 157.1 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.84 -124.74 37.12 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.83 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.638 0.256 . . . . 0.0 110.421 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.33 -43.07 92.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.16 -47.4 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.58 -46.66 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.6 -41.09 98.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 14' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -62.9 -42.2 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 15' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' X' ' 24' ' ' PHE . 80.0 mt -61.61 -42.25 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.95 -38.84 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.229 0.538 . . . . 0.0 110.184 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.29 -48.63 80.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -62.06 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.46 -77.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.09 30.53 75.9 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.69 -78.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.757 0.313 . . . . 0.0 110.666 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -62.25 -39.41 92.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.485 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.84 174.97 22.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 24' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' X' ' 15' ' ' LEU . 42.7 p90 -147.58 151.13 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 44' ' ' ILE . . . . . 0.422 ' HB ' ' CZ ' ' X' ' 61' ' ' TYR . 43.4 pt . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.9 -46.2 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.811 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -32.48 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.29 -52.26 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.735 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.66 -40.68 66.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.718 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.5 t -60.37 -48.85 79.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.799 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -86.38 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -80.2 161.65 25.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.323 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -88.83 114.47 25.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.58 137.54 48.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.367 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.15 147.41 50.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.17 0.51 . . . . 0.0 110.909 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 55' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' X' ' 55' ' ' LEU . 84.1 mt -65.91 -35.58 81.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -56.24 -48.42 76.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.66 -22.55 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.11 -34.18 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -53.42 -22.59 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.57 -9.53 43.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 61' ' ' TYR . . . . . 0.422 ' CZ ' ' HB ' ' X' ' 44' ' ' ILE . 4.2 m-30 -70.91 -31.67 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.672 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.1 163.18 20.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 -179.507 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.92 177.23 54.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.28 70.51 4.69 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.878 2.385 . . . . 0.0 112.091 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 57.9 47.69 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.4 p -128.18 160.5 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.19 121.47 43.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 41.2 t -161.52 136.07 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.55 -147.57 18.58 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.32 84.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 110.544 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.77 -40.49 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.458 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' X' ' 45' ' ' VAL . 69.4 tp -61.32 -46.04 91.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.982 0.42 . . . . 0.0 110.516 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.91 -41.61 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 0.0 110.662 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.75 -41.9 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.503 HD21 HD11 ' X' ' 58' ' ' LEU . 60.4 mt -62.46 -41.88 99.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.32 -41.63 96.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.371 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.96 -50.46 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.91 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -68.75 -38.48 80.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.698 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 -170.33 32.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.04 -14.27 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.626 0.25 . . . . 0.0 110.785 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -60.42 -38.08 82.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.42 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.73 -172.61 27.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -156.86 168.64 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -137.49 166.62 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 26' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' X' ' 44' ' ' ILE . 97.1 m-85 -108.52 141.08 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -72.98 155.08 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.456 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -67.39 152.55 96.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.13 -19.23 45.22 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.849 2.366 . . . . 0.0 112.188 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -142.85 151.31 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.17 -95.71 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -135.85 129.03 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.03 177.57 44.9 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 83.7 p -113.39 -6.79 13.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.588 0.232 . . . . 0.0 110.86 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 97.7 p -63.13 -36.61 84.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -65.32 -37.09 86.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.07 0.462 . . . . 0.0 110.728 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.28 -44.29 96.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -61.51 -43.86 98.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.382 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -74.62 160.36 81.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.567 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 40' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 55.6 Cg_endo -74.02 62.32 4.93 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.798 2.332 . . . . 0.0 112.184 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -100.71 13.19 35.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.765 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -61.05 -44.81 96.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.547 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.52 152.31 22.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.456 HD11 ' CE2' ' X' ' 26' ' ' PHE . 32.7 pt -67.06 -30.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.607 0.241 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.405 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.7 t -63.4 -47.55 91.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.058 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.56 -38.83 92.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.78 -50.66 71.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.332 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 48' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' X' ' 58' ' ' LEU . 86.9 m -71.64 -40.9 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.262 0.553 . . . . 0.0 111.18 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.41 -48.93 79.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.954 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.37 -71.53 0.5 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.005 0.431 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -81.25 162.48 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.477 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -89.18 101.29 13.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.257 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 136.07 33.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.54 151.93 42.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.57 -40.06 95.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.13 -47.79 84.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -64.47 -37.53 87.87 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.503 HD11 HD21 ' X' ' 15' ' ' LEU . 12.6 tp -58.72 -33.61 70.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.43 -20.94 65.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.5 mtp -62.95 -34.09 76.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.772 0.32 . . . . 0.0 110.738 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.17 -10.26 59.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.8 m -75.6 162.03 28.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -67.56 162.14 59.52 Favored Pre-proline 0 N--CA 1.447 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.358 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 51.6 Cg_exo -52.32 143.06 44.88 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.914 2.409 . . . . 0.0 112.139 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 75.7 mt -115.19 144.57 43.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.64 153.06 43.12 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.85 155.28 62.64 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.783 2.322 . . . . 0.0 112.257 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.45 89.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.507 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -91.32 127.01 36.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.75 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -65.21 148.75 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.38 170.93 55.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.56 67.07 4.63 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.87 2.38 . . . . 0.0 112.205 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 54.36 41.54 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.561 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 13.7 t -149.77 150.94 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.88 131.64 56.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -162.2 145.87 11.95 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.778 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.28 -128.75 44.65 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.03 79.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.654 0.264 . . . . 0.0 110.634 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.04 -42.47 98.53 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.464 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.8 -42.53 85.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.42 -44.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.11 -44.56 96.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.33 98.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -60.77 -43.52 97.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.21 -40.97 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.83 -50.15 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.14 -44.28 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -119.1 62.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.61 99.76 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -98.58 -40.01 8.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.18 -40.18 95.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 -176.68 44.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -156.7 163.32 39.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -144.79 168.01 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 26' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' X' ' 44' ' ' ILE . 99.3 m-85 -108.32 133.83 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.31 92.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -129.03 76.16 79.54 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.48 -28.07 62.36 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.854 2.369 . . . . 0.0 111.86 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.7 p -125.37 161.35 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.513 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.33 12.71 16.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -83.94 109.21 17.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.871 0.367 . . . . 0.0 110.46 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.11 -7.94 80.97 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 95.7 p -119.09 -9.82 9.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -138.68 120.46 15.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.53 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 36' ' ' SER . . . . . 0.423 ' H ' ' HB3' ' X' ' 39' ' ' ALA . 47.6 t -156.87 147.46 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 56.59 -95.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.736 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -134.27 33.38 3.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.906 0.384 . . . . 0.0 110.206 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.423 ' HB3' ' H ' ' X' ' 36' ' ' SER . . . -69.63 163.7 57.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -60.32 81.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 123.068 2.512 . . . . 0.0 112.147 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -91.96 14.33 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.75 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -75.74 165.86 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.72 -179.76 33.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' X' ' 26' ' ' PHE . 25.5 pt -65.58 -32.44 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.782 0.325 . . . . 0.0 110.404 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.05 -45.33 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.22 -39.12 93.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.529 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.18 -51.18 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.255 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 93.9 m -71.35 -40.59 70.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.185 0.517 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.45 -48.02 83.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.917 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -85.83 -67.31 0.82 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.048 0.451 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -80.96 162.26 23.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.537 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.0 t -91.94 91.92 8.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.38 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -77.58 149.69 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.43 154.12 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.523 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.09 -37.38 86.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -57.59 -41.0 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -86.18 -18.45 32.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -63.43 -11.84 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.9 mtp -65.29 -37.03 85.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -77.49 -10.07 59.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.787 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -80.63 147.92 30.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 110.428 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.56 155.26 93.67 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -74.74 156.4 44.18 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.992 2.462 . . . . 0.0 112.243 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.3 145.08 48.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -74.22 152.99 88.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.535 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -70.68 158.91 54.41 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.858 2.372 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.15 88.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.48 -45.38 91.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -61.8 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.33 -175.09 47.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.37 63.16 6.28 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.746 2.297 . . . . 0.0 112.011 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -93.35 2.86 56.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.104 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -106.21 125.75 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.55 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 6' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' X' ' 14' ' ' ALA . 83.3 mt -108.71 125.52 52.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -165.1 151.16 9.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.767 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -131.8 52.23 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.68 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.695 0.283 . . . . 0.0 110.726 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.49 -42.07 95.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 110.209 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.35 -43.79 96.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.2 -47.19 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 0.0 110.92 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.87 -42.72 97.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.39 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 14' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.66 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.3 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.76 -41.96 95.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.319 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.46 -49.51 76.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.385 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.77 -46.89 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.75 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 79.0 m -76.52 -19.32 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.641 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.79 -153.6 44.12 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -17.6 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.657 0.265 . . . . 0.0 110.703 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -60.5 -38.02 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.65 -173.0 47.11 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -151.03 161.31 42.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.007 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 44.2 p90 -147.26 161.81 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.348 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.7 -18.27 11.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -145.57 -56.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.367 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -131.77 153.83 81.59 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.36 -24.66 57.25 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.276 . . . . 0.0 112.2 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 82.0 p -130.57 159.67 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.82 41.11 0.35 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -60.03 -27.17 66.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.08 151.54 48.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 70.3 m -104.63 -0.04 28.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.621 0.248 . . . . 0.0 110.842 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -65.11 -20.75 66.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.687 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -143.1 145.54 32.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.506 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -70.54 153.71 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -61.35 -45.79 92.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.5 76.23 77.82 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.89 30.27 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.988 2.459 . . . . 0.0 112.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -150.83 108.96 3.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.227 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -77.63 162.86 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.412 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.65 -68.19 0.36 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.434 HG23 ' CE1' ' X' ' 61' ' ' TYR . 82.0 mt -61.74 -47.79 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.776 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.9 -46.81 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.58 -39.9 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -50.38 72.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.174 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m -70.51 -41.13 73.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.935 0.398 . . . . 0.0 110.96 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.86 -48.19 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.746 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -87.11 -68.0 0.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.123 0.487 . . . . 0.0 110.668 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.6 167.47 20.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 71.8 m -94.94 84.56 4.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -69.31 144.73 53.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.475 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.02 145.52 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.986 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.23 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.46 -46.78 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.89 -37.0 84.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.994 0.426 . . . . 0.0 110.312 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.56 -33.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.429 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.86 -22.57 64.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 84.2 mmm -60.61 -34.57 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.745 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.8 m-85 -78.29 6.94 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -74.77 165.76 24.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.829 0.347 . . . . 0.0 110.248 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' X' ' 25' ' ' TYR . . . -117.7 91.35 38.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.35 147.55 84.48 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 123.174 2.583 . . . . 0.0 112.028 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.14 144.3 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.82 157.43 90.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.17 140.87 81.12 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.563 2.175 . . . . 0.0 111.895 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.74 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.9 161.57 42.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p -63.53 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.61 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.73 -173.96 46.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.06 69.95 3.78 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.374 . . . . 0.0 112.122 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 59.05 43.95 16.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.644 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -132.04 160.98 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.629 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.81 87.31 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -137.82 151.35 48.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.79 -152.01 20.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.44 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.74 0.305 . . . . 0.0 110.337 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.3 -41.91 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.555 HD23 HG13 ' X' ' 45' ' ' VAL . 59.4 tp -64.82 -43.07 94.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.857 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.83 -42.26 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.744 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.33 -39.34 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.29 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.09 94.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' X' ' 58' ' ' LEU . 75.4 mt -60.8 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -66.44 -38.64 87.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.09 -49.62 76.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 18' ' ' VAL . . . . . 0.704 HG21 HD22 ' X' ' 58' ' ' LEU . 70.7 t -64.16 -46.58 93.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.7 -38.2 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.32 -130.44 48.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.68 -34.85 71.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.753 0.311 . . . . 0.0 110.615 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -61.74 -38.12 86.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 -168.01 18.65 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.83 159.72 41.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -154.63 167.54 29.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -117.16 135.99 53.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -91.86 108.43 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 49.99 61.99 12.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.51 -24.12 36.5 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.811 2.341 . . . . 0.0 112.114 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.4 p -134.67 161.93 33.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.11 134.61 1.98 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -63.71 -25.14 68.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.837 0.351 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.97 96.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -95.47 -13.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 22.4 p -68.6 -8.79 45.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.568 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p -61.23 -41.36 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.098 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -151.43 11.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -136.51 144.36 44.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -137.75 161.7 58.68 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 40' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 55.8 Cg_endo -75.48 67.63 6.29 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.807 2.338 . . . . 0.0 112.017 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.23 12.13 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -146.31 151.31 37.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.78 -170.73 41.4 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' X' ' 44' ' ' ILE . 24.0 pt -64.57 -32.16 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.674 0.273 . . . . 0.0 110.509 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.555 HG13 HD23 ' X' ' 11' ' ' LEU . 48.9 t -66.61 -46.35 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.79 -37.02 86.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.714 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.41 -51.63 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.914 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -71.51 -41.02 69.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.988 0.423 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.6 -48.32 82.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.751 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -86.38 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -79.45 162.8 25.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.536 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -92.23 87.91 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.473 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -76.03 154.66 35.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 54' ' ' ASP . . . . . 0.427 ' O ' HD12 ' X' ' 58' ' ' LEU . 98.6 m-20 -105.39 171.22 7.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.51 -35.43 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.93 -42.95 90.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.688 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.704 HD22 HG21 ' X' ' 18' ' ' VAL . 1.8 mp -61.03 -42.04 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.578 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.7 -37.41 84.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.29 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.744 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.53 -25.47 61.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.45 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.4 156.74 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.499 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 149.24 88.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.1 156.44 51.67 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.886 2.391 . . . . 0.0 112.136 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 37.12 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.03 158.81 86.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.31 140.85 88.93 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.845 2.363 . . . . 0.0 112.02 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.6 141.36 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.564 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -154.4 162.09 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 72.0 m -63.33 -41.45 98.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.713 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.67 -167.21 52.77 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.32 68.69 5.96 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.745 2.297 . . . . 0.0 112.011 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -130.14 118.46 21.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -131.03 162.48 29.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -127.53 176.65 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t 71.63 164.84 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.59 0.556 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.75 -129.43 48.4 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.98 75.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.659 0.266 . . . . 0.0 110.318 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.34 -36.65 82.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.127 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.461 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.2 OUTLIER -64.64 -50.36 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.55 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.29 -45.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 -42.56 94.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.023 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.12 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.039 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.02 -42.5 99.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.84 -41.51 91.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -63.52 -50.89 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.841 0.353 . . . . 0.0 111.361 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.7 -49.67 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.366 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.31 -39.47 85.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.1 -126.81 41.41 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.54 -35.0 71.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.419 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 96.5 mtm-85 -60.75 -39.14 87.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.96 -173.71 34.55 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -152.51 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -127.75 -22.89 3.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.733 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.51 141.13 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.57 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t30 61.59 60.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.24 153.68 89.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.548 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.52 61.58 6.09 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.1 p -91.41 -12.59 34.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.592 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.91 121.5 1.85 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -71.11 128.82 37.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.544 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.05 -8.43 76.5 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 75.6 m -116.47 -21.38 9.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.377 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 86.6 p -62.02 -36.69 82.31 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.43 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 89.3 p -64.36 -36.93 85.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.559 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -63.85 -40.56 96.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.647 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -156.51 160.61 30.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.637 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 40' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 57.0 Cg_endo -75.31 71.34 5.23 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.777 2.318 . . . . 0.0 112.067 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -95.73 11.42 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 61.9 p -76.52 165.72 24.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.67 -81.36 0.3 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.42 HG23 ' CE1' ' X' ' 61' ' ' TYR . 81.1 mt -61.41 -47.1 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.716 0.293 . . . . 0.0 110.704 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.92 -46.13 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.62 -39.04 93.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.33 -51.04 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.475 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.5 m -71.21 -40.45 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.264 0.554 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.0 t -61.23 -48.66 80.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.995 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -86.92 -67.09 0.84 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.63 165.51 21.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.5 m -94.01 85.14 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -68.35 148.11 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.67 141.42 55.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.81 -40.09 95.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.459 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -59.54 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.46 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -62.55 -38.28 89.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' X' ' 61' ' ' TYR . 14.8 tp -59.41 -35.43 73.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -54.42 -23.31 15.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.634 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 87.7 mmm -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.42 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.2 m-85 -80.51 28.11 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.49 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.3 m -100.01 145.61 27.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . -67.61 153.69 94.56 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.61 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.61 159.0 43.25 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.014 2.476 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.94 153.16 95.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.92 154.41 63.14 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.732 2.288 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.31 86.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.37 -46.36 86.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.55 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.577 -179.887 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.38 72.64 0.96 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.24 150.38 87.13 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 123.132 2.554 . . . . 0.0 111.773 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.75 1.23 56.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.99 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 76.1 p -129.02 159.57 35.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.587 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -117.73 102.88 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -137.14 160.22 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.44 -148.06 38.28 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.92 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 110.687 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -56.4 -46.71 80.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.308 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.01 -41.17 97.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.36 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.73 -43.79 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.04 -41.72 97.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.55 94.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.454 HD21 HD11 ' X' ' 58' ' ' LEU . 76.6 mt -61.92 -43.29 99.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.525 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.68 -41.05 92.9 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.09 -49.98 75.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.673 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.6 -48.37 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.032 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 90.8 m -67.43 -37.73 83.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.171 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -129.57 42.11 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.91 -32.01 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.51 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.49 -39.48 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 -171.66 44.71 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -153.55 161.69 41.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.31 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -148.2 167.22 25.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.349 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -113.11 141.79 46.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.42 148.32 48.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.628 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt 49.62 61.95 12.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.95 -23.66 54.12 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.637 2.225 . . . . 0.0 112.238 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -69.64 -28.87 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.9 3.44 21.05 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.28 131.33 47.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.761 0.315 . . . . 0.0 110.413 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.72 155.43 53.29 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 94.9 p -106.97 -17.4 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.345 . . . . 0.0 110.779 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 59.3 p -64.72 -35.52 81.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.573 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m 53.0 26.66 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.495 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -139.44 147.46 41.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.758 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 54.16 39.88 31.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -73.29 158.24 87.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 40' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 61.5 Cg_endo -76.64 57.8 5.69 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.562 2.175 . . . . 0.0 112.085 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 49.14 48.7 20.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -146.2 154.28 41.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.3 151.08 27.59 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 pt -70.47 -32.03 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.737 0.303 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.27 -48.24 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.93 -42.58 97.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.11 -50.8 71.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.565 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -70.94 -40.54 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.53 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.62 -47.26 86.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -86.63 -69.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -79.77 163.44 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.503 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -89.4 113.5 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.47 135.88 48.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -76.45 151.48 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.37 -36.48 84.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.18 -49.04 77.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.745 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.13 -23.07 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.484 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.454 HD11 HD21 ' X' ' 15' ' ' LEU . 15.7 tp -65.12 -38.98 92.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.892 0.377 . . . . 0.0 110.129 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.47 -21.09 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -77.39 0.32 22.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -69.21 150.6 47.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 110.149 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -71.47 164.9 53.79 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 48.6 Cg_exo -54.25 152.15 26.36 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 123.173 2.582 . . . . 0.0 111.779 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 143.49 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -69.41 154.84 94.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.614 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.06 157.51 54.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.613 2.208 . . . . 0.0 112.417 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.641 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -59.22 -46.63 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 88.2 p -64.86 -37.25 87.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.617 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.56 -56.19 25.77 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -82.72 121.84 3.37 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.18 -1.63 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.899 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 60.9 p -79.33 163.15 25.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.73 124.37 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -162.8 134.18 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.1 -146.81 16.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.8 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.21 -43.94 95.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.657 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.6 tp -62.79 -47.29 84.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.968 0.413 . . . . 0.0 110.541 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.75 -43.98 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.13 0.49 . . . . 0.0 110.613 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.98 -39.42 92.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.75 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.771 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.34 95.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.376 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -67.04 -50.33 62.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.791 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.39 -49.81 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.186 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.6 m -71.27 -41.97 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.36 -130.34 43.76 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.23 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.745 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.527 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 -172.94 50.75 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -155.35 164.66 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -142.25 165.13 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -113.6 144.69 42.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.649 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.01 171.48 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -124.78 72.76 62.54 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -19.26 61.78 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.088 2.525 . . . . 0.0 111.984 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 73.9 p -70.23 -14.51 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.576 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.14 -46.37 0.28 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -152.11 161.19 43.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.75 -5.96 83.24 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 94.6 p -103.53 -2.53 26.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.752 -0.263 . . . . 0.0 110.481 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -66.6 -20.0 65.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.619 0.247 . . . . 0.0 110.441 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 39.4 t -88.34 102.8 15.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.925 0.393 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.61 -39.67 88.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.842 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -62.24 -27.01 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.83 77.42 65.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.84 72.15 5.86 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.922 2.415 . . . . 0.0 111.766 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.6 73.92 6.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.617 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 96.7 m -60.15 -46.64 89.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.502 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 175.08 160.33 22.81 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.1 pt -70.51 -30.08 41.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.708 0.289 . . . . 0.0 110.502 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.459 ' HA ' HD21 ' X' ' 11' ' ' LEU . 54.1 t -63.64 -48.33 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.039 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.59 -39.47 93.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.91 -51.42 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.678 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -70.93 -40.58 72.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 111.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.49 -47.47 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.94 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -86.3 -70.47 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -80.25 165.19 22.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -89.64 119.4 30.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 p -113.1 134.4 54.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.56 154.77 40.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.5 -39.77 94.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.97 -46.45 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.51 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -64.04 -38.99 93.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.25 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.1 tp -59.77 -35.94 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.872 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.23 -35.33 73.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 74.2 mtm -60.75 -19.5 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.461 ' CD1' HD12 ' X' ' 58' ' ' LEU . 18.2 m-30 -75.51 -11.59 60.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.617 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -67.74 147.26 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.353 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.06 156.34 91.75 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.388 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.04 153.66 41.73 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.817 2.345 . . . . 0.0 112.382 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.43 29.89 7.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.302 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.59 158.77 87.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.859 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.14 141.73 87.24 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.615 2.21 . . . . 0.0 111.926 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.15 142.71 58.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.668 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -61.44 -43.6 98.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 89.2 p -152.76 162.42 41.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.512 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.72 -178.34 48.39 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -79.93 171.51 15.27 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.188 2.592 . . . . 0.0 111.746 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 59.7 44.89 13.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.463 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -129.33 162.29 28.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.717 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.58 97.4 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.17 151.15 51.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.8 -125.87 40.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.36 77.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.6 0.238 . . . . 0.0 110.584 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.96 -43.59 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.509 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.12 -42.24 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.998 0.428 . . . . 0.0 110.583 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.81 -44.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.51 -45.76 92.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.419 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.63 -42.59 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -65.86 -40.7 91.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.78 -50.87 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.646 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.83 -48.88 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.297 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -67.54 -39.41 85.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 0.0 110.191 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.71 -131.93 49.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -58.25 -33.66 69.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.401 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.4 ' CD ' HD23 ' X' ' 65' ' ' LEU . 96.2 mtm-85 -62.17 -39.31 92.23 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.74 -167.36 29.81 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -155.79 160.0 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.514 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -153.37 163.4 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.462 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -125.86 143.17 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 p30 -83.97 178.01 8.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -136.52 70.38 60.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.74 -23.59 35.71 Favored 'Trans proline' 0 C--N 1.302 -1.891 0 C-N-CA 122.861 2.374 . . . . 0.0 112.069 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p -129.03 158.11 39.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.58 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.13 6.54 25.25 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.34 -36.88 85.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.655 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.4 -8.95 78.48 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -159.83 -80.16 0.05 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.727 0.299 . . . . 0.0 110.495 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t 48.24 32.96 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.452 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 88.7 p -63.33 -35.04 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.06 -45.46 94.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -63.07 -44.42 95.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.711 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.51 77.26 77.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.71 63.43 5.72 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.913 2.409 . . . . 0.0 112.258 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -105.34 15.99 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.828 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.01 -160.91 0.29 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.322 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.59 168.2 33.72 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.561 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 84.3 mt -61.4 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.75 0.31 . . . . 0.0 110.736 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -62.43 -46.35 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.37 -37.8 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.763 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.81 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.25 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 92.2 m -71.86 -40.03 69.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 110.94 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.83 -47.34 86.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.871 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -88.22 -67.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 0.0 110.54 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -78.73 159.35 27.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -89.59 90.5 8.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -75.79 143.87 41.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 136.95 57.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.03 -40.86 99.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.57 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.69 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -64.01 -22.47 66.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.199 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.497 HD12 ' HE1' ' X' ' 61' ' ' TYR . 6.4 tp -55.4 -24.78 31.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -62.41 -13.34 28.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 85.3 mmm -62.92 -38.48 91.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 110.497 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.561 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 2.9 m-85 -77.84 -18.84 55.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.604 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 99.3 m -67.51 158.8 31.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -66.8 163.42 43.23 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.441 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 60.8 Cg_exo -50.23 140.33 33.78 Favored 'Trans proline' 0 C--N 1.302 -1.879 0 C-N-CA 122.85 2.367 . . . . 0.0 111.719 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 65' ' ' LEU . . . . . 0.4 HD23 ' CD ' ' X' ' 22' ' ' ARG . 68.4 mt -71.58 143.9 49.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.46 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -128.36 75.8 78.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.0 143.52 96.1 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.866 2.377 . . . . 0.0 111.853 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.88 142.47 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -62.18 -39.05 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 98.9 p -63.01 -23.59 67.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.57 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.61 176.31 45.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.99 -20.47 60.57 Favored 'Trans proline' 0 C--N 1.303 -1.864 0 C-N-CA 123.0 2.466 . . . . 0.0 112.583 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.14 0.13 57.59 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.111 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 80.6 p -130.27 159.31 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 6' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' X' ' 14' ' ' ALA . 78.3 mt -112.82 117.36 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.299 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -150.26 150.77 31.98 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.71 -127.88 44.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.32 77.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.65 0.262 . . . . 0.0 110.676 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.49 -40.96 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.56 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.45 -49.16 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.95 -45.59 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.71 -42.81 99.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.763 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 14' ' ' ALA . . . . . 0.402 ' CB ' HD13 ' X' ' 6' ' ' LEU . . . -63.02 -41.22 99.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' X' ' 24' ' ' PHE . 70.6 mt -61.74 -42.92 99.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.401 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.52 -39.98 88.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.193 0.521 . . . . 0.0 110.384 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.29 -48.93 79.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.263 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -69.93 -47.65 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -128.38 72.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.753 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -72.41 0.94 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.05 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.59 -40.28 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.667 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.12 174.73 50.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 24' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' X' ' 15' ' ' LEU . 48.1 p90 -154.14 159.86 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.733 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -151.3 162.42 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -127.66 146.81 50.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -86.14 160.01 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -62.37 153.6 75.45 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.407 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.77 62.14 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.785 2.324 . . . . 0.0 112.278 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 79.8 p -99.23 -10.24 22.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -178.76 -172.17 42.81 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -123.02 128.78 50.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.17 -127.51 44.06 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -103.55 12.51 34.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 110.654 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -131.41 113.82 14.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.995 0.426 . . . . 0.0 110.433 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 57.9 m -100.88 11.11 40.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.638 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -62.19 -39.89 94.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 110.665 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -133.86 139.45 46.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.65 72.21 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.431 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.4 61.26 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.776 2.317 . . . . 0.0 112.415 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 49.27 55.71 8.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.723 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 11.3 t -136.59 151.34 49.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.392 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.39 179.35 45.78 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.419 HG23 ' CE1' ' X' ' 61' ' ' TYR . 87.5 mt -61.28 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.777 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.17 -45.12 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.11 -40.25 97.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.39 -51.61 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.474 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.97 -40.25 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 111.124 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.82 -47.93 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.62 -71.08 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -80.19 165.77 22.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -92.01 91.11 7.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.67 146.86 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.573 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.08 145.74 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.54 -39.16 93.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.397 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.87 -45.48 92.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.71 -39.29 93.55 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.925 0.393 . . . . 0.0 110.262 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.29 -36.83 76.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.507 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.33 -20.98 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.33 -36.51 80.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 0.0 110.63 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.7 m-85 -80.73 24.72 0.47 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.488 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -97.04 156.36 16.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.016 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 155.13 83.4 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.69 158.34 47.2 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 123.011 2.474 . . . . 0.0 112.283 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.96 144.1 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.98 153.64 95.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.566 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 152.35 75.83 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.697 2.264 . . . . 0.0 112.286 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.32 142.39 58.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.556 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.26 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m 55.66 40.08 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.84 -60.41 8.96 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.61 69.51 7.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.572 2.181 . . . . 0.0 112.507 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -67.31 -10.88 55.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.287 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 69.5 p -75.54 162.87 27.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.514 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.8 122.46 47.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -164.02 147.64 9.8 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -127.94 46.47 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.69 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.608 0.242 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.09 -41.84 98.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.389 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.82 -43.77 95.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.28 -46.09 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.68 -45.3 93.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.08 97.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.639 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.01 -40.35 97.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.16 -45.59 91.16 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.354 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -62.12 -50.64 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.606 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.0 -42.03 94.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.566 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 61.9 m -99.3 28.89 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.47 139.95 41.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 65.3 7.54 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 92.7 mtm-85 -127.15 -33.49 2.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.7 175.74 44.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -153.12 158.49 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 110.359 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -155.49 168.1 28.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.32 135.37 54.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -111.02 112.23 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -128.97 73.2 81.83 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.45 -36.16 93.54 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.829 2.353 . . . . 0.0 112.204 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 67.9 p -75.6 165.87 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 21.91 2.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -63.35 -38.68 92.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.909 0.385 . . . . 0.0 110.716 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.77 176.22 39.86 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 86.9 p -107.25 1.27 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 54.5 p -63.4 -24.57 67.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 42.6 t -64.14 140.98 58.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -62.22 -39.44 92.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -153.71 159.1 41.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -156.93 162.0 28.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 40' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 56.7 Cg_endo -73.97 79.98 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.718 2.278 . . . . 0.0 112.206 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -89.92 8.9 29.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 71.2 p -79.39 165.88 22.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.64 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.0 173.92 43.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.604 -0.999 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 pt -67.73 -28.98 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.2 -49.01 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.72 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.14 -40.14 94.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.41 -50.91 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.136 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.76 -40.55 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 111.345 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.23 -47.59 83.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -86.19 -67.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.375 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -80.78 163.56 23.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.882 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.81 86.8 6.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 23.6 p -73.1 159.11 34.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.527 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -92.97 148.42 22.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.189 0.519 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.59 -31.32 70.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -58.21 -48.95 78.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.517 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.771 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' X' ' 61' ' ' TYR . 13.3 tp -60.84 -37.09 80.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.72 -26.15 56.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.978 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.7 mtm -63.45 -27.33 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.666 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' X' ' 58' ' ' LEU . 7.0 m-85 -77.22 -3.37 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.2 m -69.33 145.3 53.11 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.142 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -75.4 165.22 55.43 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.438 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 50.7 Cg_exo -52.59 138.03 58.2 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 C-N-CA 123.051 2.501 . . . . 0.0 111.691 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.44 26.06 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.71 158.4 87.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.712 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.29 141.63 80.76 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.492 2.128 . . . . 0.0 112.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.643 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -125.97 144.48 50.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.546 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 47.9 t -61.62 -43.63 98.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.4 -178.52 51.65 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.37 170.12 15.01 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.225 2.617 . . . . 0.0 112.175 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -164.8 141.29 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 65.7 p -129.81 160.64 32.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -111.16 126.5 54.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -164.05 138.92 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -145.06 17.46 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.68 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.73 -43.18 94.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.338 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.43 -43.64 98.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.632 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.49 -44.16 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.76 -40.75 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.88 90.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.14 -44.24 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.04 -41.88 97.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 0.0 110.479 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.03 -50.32 73.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.52 -41.38 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.601 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.3 m -86.1 5.98 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.697 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.86 -129.86 22.51 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -92.91 -3.9 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.003 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -65.62 -39.51 91.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.75 -178.91 39.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.76 166.64 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 110.97 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -131.57 167.1 19.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 26' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' X' ' 44' ' ' ILE . 96.8 m-85 -113.35 -17.04 12.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.02 116.61 32.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.962 0.41 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.52 158.78 82.94 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.21 -36.41 77.49 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.8 2.334 . . . . 0.0 111.882 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -148.26 144.44 27.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.42 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.19 15.23 15.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.64 -49.53 77.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.18 -129.45 49.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -115.14 17.85 16.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.541 0.21 . . . . 0.0 110.538 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -153.24 136.9 16.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.004 0.431 . . . . 0.0 110.38 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t -60.99 -42.66 98.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.852 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -63.82 132.32 50.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -119.12 137.29 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.464 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.12 69.87 80.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -78.55 59.3 7.13 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.797 2.331 . . . . 0.0 112.063 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -113.77 17.32 18.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 28.4 p -110.3 -78.77 0.59 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.924 0.392 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.93 162.5 36.83 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' X' ' 26' ' ' PHE . 34.9 pt -65.63 -30.36 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.728 0.299 . . . . 0.0 110.485 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.18 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.75 -37.62 88.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.43 -51.06 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.9 m -72.31 -41.02 67.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -59.65 -49.17 78.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.794 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -83.75 -71.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.014 0.435 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -80.94 161.53 24.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -89.18 96.43 10.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.6 144.23 35.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.0 150.87 30.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.15 -38.96 92.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -58.75 -46.99 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.76 -39.13 93.11 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.727 0.298 . . . . 0.0 110.484 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.11 -28.7 66.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.144 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -61.47 -33.77 74.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.959 0.409 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtm -69.6 -13.85 62.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -76.04 -12.13 60.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 69.9 m -69.43 152.11 45.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -71.07 156.9 91.36 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 58.1 Cg_endo -73.92 156.33 47.94 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.051 2.501 . . . . 0.0 112.237 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.99 146.93 43.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 153.32 94.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.7 148.18 64.89 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.39 144.64 42.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -61.57 -40.72 95.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.557 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.18 178.04 45.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.3 -12.49 33.89 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 123.028 2.486 . . . . 0.0 112.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.13 -8.71 57.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.93 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.2 p -109.58 11.46 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.763 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -137.52 32.26 2.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 91.4 m -130.42 148.19 52.21 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.81 -128.57 47.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.84 76.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.693 0.282 . . . . 0.0 110.596 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.13 -40.76 95.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.65 -43.63 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.539 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.52 -43.41 94.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.12 -45.21 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.289 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.09 95.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.58 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.577 HD21 HD11 ' X' ' 58' ' ' LEU . 74.1 mt -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.643 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.52 -39.78 88.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.75 -49.12 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.05 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.88 -46.63 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -124.58 66.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -44.64 95.65 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -83.3 -53.13 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.43 ' HD3' HD21 ' X' ' 65' ' ' LEU . 90.6 mtm180 -62.68 -40.92 98.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.51 -174.82 54.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -152.64 159.56 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -150.35 161.15 43.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.608 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -118.09 120.45 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -111.48 24.6 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.2 62.51 8.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.782 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.46 -19.43 28.59 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.882 2.388 . . . . 0.0 112.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 30' ' ' THR . . . . . 0.403 HG23 ' O ' ' X' ' 41' ' ' GLN . 97.0 m -60.64 131.89 52.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.46 99.5 0.22 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.01 -31.56 68.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.878 0.37 . . . . 0.0 110.515 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.25 -37.93 93.76 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -107.5 8.51 29.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 31.2 t -145.04 126.1 14.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.399 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -71.58 138.76 49.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -61.23 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -60.05 -42.98 95.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -74.37 157.94 85.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 40' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 58.6 Cg_endo -77.38 59.59 6.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.779 2.319 . . . . 0.0 112.226 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 41' ' ' GLN . . . . . 0.403 ' O ' HG23 ' X' ' 30' ' ' THR . 98.4 mm-40 -110.59 26.55 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 98.5 m -59.42 -46.1 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.55 158.56 26.87 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.503 HD13 ' CD2' ' X' ' 61' ' ' TYR . 90.9 mt -62.23 -46.18 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.3 -46.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.775 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.15 -37.3 86.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.522 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.1 -52.67 64.36 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.086 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.81 -40.07 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.919 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.82 -46.45 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.743 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -88.15 -67.18 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.452 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -81.24 149.58 28.96 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -81.51 89.13 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.436 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -75.15 143.34 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.47 150.66 48.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.54 -38.12 88.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -60.21 -45.85 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.424 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -62.86 -38.75 92.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.035 0.445 . . . . 0.0 110.302 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.577 HD11 HD21 ' X' ' 15' ' ' LEU . 18.3 tp -60.11 -37.54 80.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.78 -20.54 61.66 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.652 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.55 -30.64 70.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.703 0.287 . . . . 0.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.503 ' CD2' HD13 ' X' ' 44' ' ' ILE . 16.0 m-85 -78.74 1.38 23.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.43 153.05 24.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 110.529 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -71.62 157.43 89.82 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 58.4 Cg_endo -73.75 156.86 48.53 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.862 2.375 . . . . 0.0 112.313 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 65' ' ' LEU . . . . . 0.43 HD21 ' HD3' ' X' ' 22' ' ' ARG . 95.4 mt -68.71 143.93 54.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.593 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 51.7 tptt 49.55 63.62 9.94 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.29 162.92 39.25 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.887 2.392 . . . . 0.0 112.162 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.06 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.532 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.08 -41.57 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.633 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 72.1 m -64.76 -40.31 95.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.37 178.69 46.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.01 173.84 12.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.115 2.543 . . . . 0.0 111.801 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 57.62 48.58 13.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.508 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 60.0 p -128.15 162.99 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.614 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 6' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' X' ' 14' ' ' ALA . 75.8 mt -106.42 123.23 47.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.393 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -164.12 146.79 9.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.781 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.07 -127.32 44.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.93 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.22 -40.61 96.7 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.215 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.437 HD23 HG22 ' X' ' 45' ' ' VAL . 65.5 tp -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.45 -46.04 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.22 -42.96 99.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 14' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.87 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.82 -43.52 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.35 -42.51 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.455 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.49 -50.5 71.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.928 0.394 . . . . 0.0 111.782 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.38 -49.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.36 -38.68 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.55 -129.21 39.33 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.89 -39.49 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.23 -177.27 48.84 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -151.51 161.32 42.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.516 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.92 162.32 40.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.466 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -116.26 -25.49 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -157.69 106.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -72.1 156.94 90.23 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -39.98 83.79 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.462 2.108 . . . . 0.0 112.077 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -128.59 129.97 46.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.06 1.17 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -78.04 123.95 27.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.704 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.36 -1.75 84.35 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -115.64 -19.36 10.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 30.8 t -93.76 98.17 10.92 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.953 0.406 . . . . 0.0 110.597 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m 51.89 28.34 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 48.87 31.04 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -148.34 138.42 22.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.232 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.45 79.0 71.46 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.35 57.81 5.52 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.76 2.307 . . . . 0.0 112.008 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -104.59 14.9 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.883 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -118.09 135.32 54.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.54 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.63 -14.91 32.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 92.2 mt -61.6 -48.05 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 117.002 0.401 . . . . 0.0 110.429 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.437 HG22 HD23 ' X' ' 11' ' ' LEU . 51.7 t -64.01 -45.16 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.679 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.38 -38.65 90.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.85 -51.13 70.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.36 -40.48 70.62 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.162 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.0 t -61.58 -47.98 83.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.786 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -85.7 -69.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 0.0 110.349 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -79.58 162.12 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.747 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -90.81 95.69 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.449 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -81.13 138.25 35.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.369 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -65.74 145.86 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.49 -39.06 93.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.399 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.85 -46.28 89.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -62.63 -39.35 93.53 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.4 tp -60.66 -31.83 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.532 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -30.26 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 72.8 mtm -61.47 -20.62 63.36 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.7 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.564 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 32.2 m-85 -76.32 -8.72 57.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -69.91 146.86 50.91 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.361 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -72.6 162.81 72.25 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.362 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 51.9 Cg_exo -51.99 141.81 45.69 Favored 'Trans proline' 0 C--N 1.302 -1.873 0 C-N-CA 122.999 2.466 . . . . 0.0 111.79 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 65' ' ' LEU . . . . . 0.454 HD23 ' HE3' ' X' ' 69' ' ' LYS . 9.2 mp -68.91 141.4 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -70.76 153.43 94.85 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 67' ' ' PRO . . . . . 0.418 ' O ' ' HB3' ' X' ' 68' ' ' ALA . 55.2 Cg_endo -70.62 155.33 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.777 2.318 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 68' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' X' ' 67' ' ' PRO . . . 65.21 68.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 69' ' ' LYS . . . . . 0.454 ' HE3' HD23 ' X' ' 65' ' ' LEU . 62.3 mttp -61.44 -39.1 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.557 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -62.35 -23.91 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.564 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.616 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.4 60.34 7.2 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 -12.11 31.78 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.791 2.327 . . . . 0.0 112.527 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -90.48 -2.52 57.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.313 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -115.57 126.39 54.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.492 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.53 105.62 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.27 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 84.2 m -132.02 156.57 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.57 -124.31 35.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.46 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.536 0.208 . . . . 0.0 110.753 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.01 -47.45 80.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.892 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.42 -45.77 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.03 -42.02 98.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.85 98.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.736 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.62 -43.04 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -65.41 -40.75 93.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.74 -48.61 81.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.38 -45.67 95.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.8 m -126.36 69.27 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.698 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 -68.53 1.63 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.56 -46.29 86.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 83.9 mtp180 -63.61 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.35 174.74 50.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.21 158.42 43.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.604 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -154.47 163.72 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.67 -27.38 8.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.723 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -173.19 -70.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -142.78 72.08 19.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.94 -36.65 84.36 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.717 2.278 . . . . 0.0 111.96 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 95.4 m -120.24 128.49 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.67 126.94 2.03 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -65.67 133.5 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.674 0.273 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.63 175.74 41.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 67.7 m -104.18 3.49 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.614 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 47.6 p -66.55 -12.53 58.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.675 0.274 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -59.08 -28.05 66.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.371 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -69.55 -33.31 72.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.13 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -68.32 -41.95 80.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . 50.54 63.94 9.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.595 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.68 68.85 2.89 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.819 2.346 . . . . 0.0 112.257 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -91.82 31.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.591 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 63.8 p -127.27 161.94 27.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.58 -105.89 2.33 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.49 -44.96 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.2 -45.96 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.64 -39.32 93.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.88 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.919 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -71.84 -40.77 68.84 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.076 0.465 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.33 -47.53 85.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.854 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -84.76 -72.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.38 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -81.13 163.2 23.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -88.85 94.17 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.327 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -76.37 147.27 38.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.96 140.47 57.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.01 -40.02 95.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -59.68 -49.08 79.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.507 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -61.31 -36.71 80.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.018 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -58.98 -35.46 73.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.365 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -58.34 -17.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 89.0 mmm -60.12 -37.06 78.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.414 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -81.27 28.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.311 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.56 147.31 29.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.28 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . -64.0 149.56 93.41 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.425 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.53 155.88 54.53 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.918 2.412 . . . . 0.0 112.38 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.49 144.9 37.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.36 158.5 87.87 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.645 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.16 142.02 87.11 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.593 2.195 . . . . 0.0 112.042 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.89 151.93 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -152.61 158.7 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.656 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 47.9 t -149.34 145.48 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.24 -171.15 53.19 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.43 162.96 28.51 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 123.188 2.592 . . . . 0.0 111.901 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 61.82 47.17 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.457 . . . . 0.0 110.413 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 70.9 p -130.68 158.52 39.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt 48.65 67.24 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.195 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.25 84.71 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.111 0.481 . . . . 0.0 110.554 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.99 -139.81 8.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.58 75.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.579 0.228 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.78 -42.21 92.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.539 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.15 -47.94 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.619 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.27 -45.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.151 0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.81 -39.33 93.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.48 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -66.74 -41.22 88.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.3 -49.35 77.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.85 -45.91 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.32 62.68 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.788 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.71 95.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.516 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.13 -51.69 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.54 -39.92 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.95 -176.42 53.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.1 159.22 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.863 0.363 . . . . 0.0 110.567 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -100.58 -9.94 21.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 88.5 t80 62.19 -86.72 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.112 0 O-C-N 123.233 0.333 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -119.01 14.69 13.24 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.519 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 48.74 72.69 1.18 Allowed Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-O 120.853 0.359 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.24 -17.72 59.1 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.177 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.1 p -108.65 20.65 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.464 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.33 15.33 46.74 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.13 -39.87 95.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.945 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.34 94.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -95.01 -1.35 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.594 0.235 . . . . 0.0 110.94 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -65.0 -21.59 66.87 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.657 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p 63.51 -165.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -135.67 159.35 41.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.24 83.03 67.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.68 74.15 1.73 Allowed 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.88 2.386 . . . . 0.0 112.031 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -143.92 108.16 4.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.242 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 13.7 t -47.96 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.59 118.2 5.17 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.437 HG23 ' N ' ' X' ' 45' ' ' VAL . 8.7 tt -57.36 -40.15 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.747 0.308 . . . . 0.0 110.459 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.437 ' N ' HG23 ' X' ' 44' ' ' ILE . 55.6 t -63.29 -45.32 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.19 -38.71 92.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.83 -51.28 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.384 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.4 -40.73 70.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.24 -50.42 73.14 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -83.33 -67.48 0.79 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.21 162.65 23.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.496 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -91.61 83.72 5.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.413 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.0 p -67.77 134.01 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.67 151.17 42.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.0 -40.4 95.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -60.5 -48.01 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -63.24 -36.61 84.23 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.66 -36.94 77.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.533 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -58.73 -17.59 24.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.3 mtp -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 111.008 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.415 ' CG ' HD12 ' X' ' 44' ' ' ILE . 19.1 m-85 -75.02 -8.49 56.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -70.8 152.48 43.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.47 150.37 96.01 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.94 160.48 45.84 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 123.074 2.516 . . . . 0.0 112.176 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.28 145.75 53.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.4 160.77 81.56 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.707 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.24 142.11 97.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.686 2.258 . . . . 0.0 112.103 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.55 155.41 41.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 55.82 38.9 30.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 68.5 m -121.36 146.99 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.597 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.77 -65.8 0.58 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.17 63.39 6.95 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.8 2.333 . . . . 0.0 112.045 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.71 118.08 21.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.402 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 11.5 t -149.7 153.42 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 mt 59.33 47.55 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.544 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.0 146.62 45.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.481 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.42 -123.18 32.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.43 -40.86 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.319 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 tp -62.61 -48.16 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.415 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.78 -46.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.67 98.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.01 -42.69 99.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.44 -40.74 93.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.44 -49.67 76.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.55 -43.46 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.494 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 70.7 m -121.06 64.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.94 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.76 99.53 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -91.48 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.147 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.33 -41.19 96.92 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.01 175.28 38.73 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -149.31 159.42 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -131.44 -32.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 t80 60.98 156.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -86.74 97.82 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.173 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.95 154.03 92.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.5 -24.4 56.51 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.563 2.176 . . . . 0.0 112.237 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 61.1 p -132.92 161.55 33.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.13 107.55 0.35 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -71.87 -27.88 63.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.779 0.323 . . . . 0.0 110.66 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.84 -41.22 97.58 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -173.33 59.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -171.28 78.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 68.7 p -70.02 -19.05 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -70.38 150.03 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -110.44 135.92 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.92 71.97 79.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.624 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.01 69.2 4.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.803 2.336 . . . . 0.0 112.135 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -127.14 93.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.479 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 58.6 p -73.91 163.66 27.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.34 -66.48 0.08 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.56 -47.37 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 122.64 -0.329 . . . . 0.0 110.73 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.2 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.75 -37.17 85.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.67 -51.63 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.856 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.84 -40.17 69.24 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -86.62 -67.27 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.462 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.71 162.68 24.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.672 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.64 85.74 5.78 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.182 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.1 p -67.38 150.46 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.92 139.19 58.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.49 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.74 -39.4 94.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.414 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -60.05 -44.92 94.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.583 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.44 -39.94 92.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.949 0.404 . . . . 0.0 110.579 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' X' ' 61' ' ' TYR . 9.6 tp -59.46 -35.71 74.58 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.5 -37.01 72.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.77 0.319 . . . . 0.0 110.692 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.62 -13.49 32.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' X' ' 58' ' ' LEU . 13.1 m-30 -73.8 -24.74 59.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.11 0.481 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 65.2 m -66.96 169.95 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.233 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.73 154.35 94.37 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.45 158.99 40.18 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 123.151 2.568 . . . . 0.0 112.128 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 65' ' ' LEU . . . . . 0.521 HD12 ' O ' ' X' ' 66' ' ' LYS . 3.3 pp -142.77 158.68 43.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.583 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 66' ' ' LYS . . . . . 0.521 ' O ' HD12 ' X' ' 65' ' ' LEU . 64.7 pttt -80.15 160.33 68.53 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.37 142.93 98.06 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.65 95.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.722 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -63.33 133.11 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.484 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -124.91 146.59 49.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.94 -179.2 47.93 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.65 152.86 75.63 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 123.426 2.751 . . . . 0.0 111.715 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -146.02 127.94 15.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.708 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -129.94 160.68 32.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.803 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -109.31 118.4 36.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.72 138.86 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.295 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.19 -148.44 18.89 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.25 -42.03 94.48 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.539 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' X' ' 45' ' ' VAL . 65.5 tp -63.21 -46.9 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.495 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.4 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.27 -40.13 95.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.82 93.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.473 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.456 HD21 HD11 ' X' ' 58' ' ' LEU . 73.1 mt -61.14 -42.17 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.726 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.3 -41.91 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.23 -50.53 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.553 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.36 -49.01 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -68.97 -37.24 78.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.653 . . . . 0.0 110.245 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.45 46.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.89 -34.56 71.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.69 0.281 . . . . 0.0 110.486 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 22' ' ' ARG . . . . . 0.613 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 90.7 mtm180 -61.4 -39.48 90.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.569 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.37 -163.68 30.83 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -156.41 162.5 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.678 0.275 . . . . 0.0 110.464 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -146.67 165.35 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.483 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -114.84 134.51 55.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -90.37 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.381 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 49.13 62.14 12.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.41 -22.32 52.48 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.794 2.329 . . . . 0.0 112.093 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -132.11 159.62 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.11 98.83 1.73 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.35 134.83 57.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.705 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.49 138.7 14.95 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -105.15 -0.97 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.597 0.237 . . . . 0.0 110.777 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -65.21 -22.41 66.88 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.73 0.3 . . . . 0.0 110.562 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 88.3 p -157.25 161.59 39.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -62.85 -40.01 96.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -67.76 148.02 51.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 39' ' ' ALA . . . . . 0.498 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -126.66 160.47 58.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 57.5 Cg_endo -74.69 64.25 5.75 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.688 2.259 . . . . 0.0 112.057 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -99.55 11.04 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -114.75 133.07 56.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.58 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.69 179.04 30.3 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 pt -64.16 -30.59 50.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.425 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.4 t -62.71 -47.15 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 -38.65 90.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.1 70.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.104 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.9 m -71.95 -40.79 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.9 t -60.42 -47.8 84.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.84 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.13 -69.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.42 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -80.41 160.82 25.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.596 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -88.99 100.28 13.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.53 135.0 33.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.511 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -76.59 158.07 31.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.68 -39.83 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.22 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -59.63 -46.56 88.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.219 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.73 -38.95 90.55 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 120.994 0.426 . . . . 0.0 110.18 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.456 HD11 HD21 ' X' ' 15' ' ' LEU . 10.9 tp -56.41 -32.57 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -63.77 -21.83 66.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.94 -35.41 80.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.97 0.414 . . . . 0.0 110.615 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.07 -15.04 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 152.28 44.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . -68.77 157.4 88.77 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.55 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 59.1 Cg_endo -73.91 154.86 48.36 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.94 2.426 . . . . 0.0 112.108 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.16 144.25 52.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 47.57 62.03 12.66 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.08 152.55 72.82 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.753 2.302 . . . . 0.0 112.195 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.83 91.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 54.82 42.96 30.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -70.58 160.45 32.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.456 -1.457 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.44 -174.28 46.09 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.52 151.17 81.68 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 123.312 2.675 . . . . 0.0 111.639 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -145.2 126.59 14.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.501 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -148.59 152.11 36.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.66 125.13 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -159.51 137.43 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.329 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.09 -149.63 18.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.56 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.534 0.207 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.26 -41.68 93.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.35 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.1 tp -62.3 -47.13 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.403 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.56 -45.82 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.25 -39.07 91.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.86 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.179 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.0 mt -61.71 -42.99 99.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.623 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -65.41 -40.64 93.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.194 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.09 -50.29 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.706 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.13 -47.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.6 m -66.98 -37.8 84.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.8 -128.8 45.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.37 -34.91 71.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.683 0.277 . . . . 0.0 110.574 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -61.18 -39.09 88.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.474 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.33 -172.49 26.64 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -152.44 162.81 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 25' ' ' TYR . . . . . 0.409 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 42.0 p90 -146.74 168.05 22.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 26' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' X' ' 44' ' ' ILE . 97.5 m-85 -113.36 153.96 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.96 149.22 23.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.53 152.33 85.94 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.85 -19.9 46.16 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -60.9 131.38 50.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.711 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.76 34.37 0.92 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -68.17 141.22 56.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.85 158.63 53.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -118.66 -23.93 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.679 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -61.92 -46.09 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 72.9 p -137.13 18.83 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 58.03 47.32 14.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.02 141.63 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.88 73.77 81.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.41 73.5 2.18 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.84 2.36 . . . . 0.0 112.181 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -92.26 10.92 27.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 8.7 t -148.29 149.79 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.15 -71.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.499 HD11 ' CE2' ' X' ' 26' ' ' PHE . 32.8 pt -62.83 -32.55 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.646 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.412 ' HA ' HD21 ' X' ' 11' ' ' LEU . 53.6 t -63.37 -47.31 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.26 -39.48 94.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.28 -50.8 71.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.443 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.33 -40.51 67.39 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.12 -47.09 87.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.031 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.52 -67.96 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.195 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.54 163.69 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -92.67 99.45 12.14 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.237 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.6 133.67 34.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.49 152.52 42.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.96 -39.69 95.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.728 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.27 -47.11 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.563 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.07 -40.26 95.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 120.93 0.395 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' X' ' 61' ' ' TYR . 7.6 tp -56.64 -32.1 65.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.143 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.2 -33.31 70.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.805 0.336 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 78.2 mtm -68.51 -11.33 59.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.42 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' X' ' 58' ' ' LEU . 12.7 m-30 -76.58 -17.5 59.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.82 156.62 23.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -69.91 163.92 56.35 Favored Pre-proline 0 N--CA 1.446 -0.645 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.367 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 50.4 Cg_exo -52.25 143.27 43.4 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.0 2.466 . . . . 0.0 111.839 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.88 145.7 50.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.758 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 50.49 68.45 3.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.08 139.4 90.45 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.26 24.86 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -133.16 -31.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -62.01 -39.91 93.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.61 172.97 55.15 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.23 66.05 5.3 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.78 2.32 . . . . 0.0 112.148 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 57.02 47.02 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -125.63 159.67 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 6' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' X' ' 14' ' ' ALA . 71.9 mt -102.51 110.15 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.467 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -132.71 157.68 44.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.37 -126.13 41.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.25 80.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.661 0.267 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.15 -42.04 97.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.89 -41.78 91.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.93 -43.53 92.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.919 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.72 -43.85 97.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.258 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 14' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -61.66 -42.26 98.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' X' ' 58' ' ' LEU . 44.3 mt -61.71 -42.84 99.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.43 -40.35 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.463 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.93 -49.52 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.68 -43.64 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -68.87 -18.3 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.335 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.71 55.63 3.13 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 60.29 42.76 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -130.69 118.15 20.5 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 109.881 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 154.6 28.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -127.18 145.46 50.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -62.74 -33.95 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.859 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 26' ' ' PHE . . . . . 0.402 ' CZ ' HG23 ' X' ' 45' ' ' VAL . 81.0 t80 60.74 155.27 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t30 64.94 89.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 111.055 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.92 158.69 85.54 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.801 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.65 -32.79 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.653 2.235 . . . . 0.0 111.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t -142.47 146.91 35.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.361 . . . . 0.0 110.533 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.85 22.79 2.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -106.27 127.64 53.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.395 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.5 -176.68 49.6 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 80.7 p -114.68 9.95 16.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -156.85 138.61 14.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.382 0.61 . . . . 0.0 110.475 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -64.45 152.58 41.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.223 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 57.68 16.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.655 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -136.69 151.98 49.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.787 0.327 . . . . 0.0 110.316 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . 51.56 63.41 9.48 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.764 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.07 67.84 5.0 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.915 2.41 . . . . 0.0 112.041 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -105.71 18.09 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 98.6 m -60.06 -46.78 88.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.07 117.45 1.17 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' X' ' 61' ' ' TYR . 81.9 mt -61.95 -47.56 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.714 0.293 . . . . 0.0 110.672 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 45' ' ' VAL . . . . . 0.402 HG23 ' CZ ' ' X' ' 26' ' ' PHE . 54.7 t -66.57 -44.14 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.149 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.82 -39.43 94.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.88 -51.1 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.083 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.84 -40.64 68.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -61.4 -48.52 80.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -85.16 -68.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.187 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.89 162.09 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.741 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -91.38 90.74 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.161 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 28.8 p -72.71 142.72 48.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.69 139.39 58.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.06 -48.26 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -63.71 -37.77 88.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.912 0.386 . . . . 0.0 110.23 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 58' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' X' ' 15' ' ' LEU . 7.5 tp -58.73 -31.26 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.407 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -57.58 -31.99 66.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.439 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.96 -19.62 64.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' X' ' 44' ' ' ILE . 13.3 m-30 -76.59 -11.77 59.92 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.4 160.81 24.01 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.16 92.96 41.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.81 140.27 90.94 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.821 2.348 . . . . 0.0 111.804 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.29 147.73 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.729 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -125.63 70.5 65.05 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.966 0.412 . . . . 0.0 110.297 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.11 152.74 62.55 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.892 2.395 . . . . 0.0 112.051 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.8 97.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.778 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -61.45 -45.19 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.619 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m 55.46 37.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.629 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.29 -162.64 51.69 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.62 71.52 3.21 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.818 2.346 . . . . 0.0 112.169 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 57.75 44.1 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.626 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 98.6 m -112.04 127.51 55.92 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.57 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 6' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' X' ' 14' ' ' ALA . 66.8 mt -119.68 102.09 8.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 77.2 m -129.38 157.1 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.84 -124.74 37.12 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.83 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.638 0.256 . . . . 0.0 110.421 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.33 -43.07 92.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.16 -47.4 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.58 -46.66 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.6 -41.09 98.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 14' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -62.9 -42.2 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 15' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' X' ' 24' ' ' PHE . 80.0 mt -61.61 -42.25 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.95 -38.84 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.229 0.538 . . . . 0.0 110.184 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.29 -48.63 80.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -62.06 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.46 -77.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.09 30.53 75.9 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.69 -78.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.757 0.313 . . . . 0.0 110.666 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -62.25 -39.41 92.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.485 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.84 174.97 22.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 24' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' X' ' 15' ' ' LEU . 42.7 p90 -147.58 151.13 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -152.67 163.82 38.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 26' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' X' ' 44' ' ' ILE . 96.7 m-85 -126.16 139.17 53.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -85.08 177.62 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -81.13 151.99 70.6 Favored Pre-proline 0 N--CA 1.454 -0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.718 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.25 -29.0 39.53 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.748 2.299 . . . . 0.0 112.204 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -123.73 128.14 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.88 -4.31 6.47 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -125.69 144.65 50.51 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.674 0.273 . . . . 0.0 110.586 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.51 157.63 33.42 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 69.4 m -113.78 4.87 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.801 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -146.56 123.88 11.61 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 99.6 p -65.29 -28.92 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.7 -44.51 96.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.405 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -66.98 -41.06 87.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.579 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.29 73.37 81.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.0 72.35 6.22 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.883 2.389 . . . . 0.0 112.041 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 53.43 47.9 23.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -112.61 132.47 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.662 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.13 135.84 11.92 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 44' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' X' ' 26' ' ' PHE . 43.4 pt -59.83 -27.6 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.9 -46.2 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.811 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -32.48 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.29 -52.26 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.735 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.66 -40.68 66.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.718 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.5 t -60.37 -48.85 79.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.799 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -86.38 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -80.2 161.65 25.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.323 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -88.83 114.47 25.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.58 137.54 48.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.367 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.15 147.41 50.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.17 0.51 . . . . 0.0 110.909 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 55' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' X' ' 55' ' ' LEU . 84.1 mt -65.91 -35.58 81.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -56.24 -48.42 76.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.66 -22.55 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.11 -34.18 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -53.42 -22.59 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.57 -9.53 43.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 61' ' ' TYR . . . . . 0.422 ' CZ ' ' HB ' ' X' ' 44' ' ' ILE . 4.2 m-30 -70.91 -31.67 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.672 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.1 163.18 20.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -65.26 162.32 41.47 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 50.2 Cg_exo -50.92 139.74 40.44 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.737 2.291 . . . . 0.0 112.047 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.21 25.05 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.03 73.26 81.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.144 0.497 . . . . 0.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.05 144.54 94.58 Favored 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 122.797 2.331 . . . . 0.0 112.004 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.93 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.34 -39.66 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -62.55 139.63 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.978 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.863 0.363 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 41.2 t -161.52 136.07 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.55 -147.57 18.58 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.32 84.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 110.544 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.77 -40.49 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.458 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' X' ' 45' ' ' VAL . 69.4 tp -61.32 -46.04 91.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.982 0.42 . . . . 0.0 110.516 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.91 -41.61 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 0.0 110.662 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.75 -41.9 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.503 HD21 HD11 ' X' ' 58' ' ' LEU . 60.4 mt -62.46 -41.88 99.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.32 -41.63 96.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.371 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.96 -50.46 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.91 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -68.75 -38.48 80.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.698 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 -170.33 32.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.04 -14.27 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.626 0.25 . . . . 0.0 110.785 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -60.42 -38.08 82.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.42 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.73 -172.61 27.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -156.86 168.64 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 p90 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 -179.491 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.7 pt . . . . . 0 C--O 1.234 0.259 0 CA-C-O 120.607 0.241 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . 0.405 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.7 t -63.4 -47.55 91.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.058 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.56 -38.83 92.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.78 -50.66 71.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.332 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' X' ' 58' ' ' LEU . 86.9 m -71.64 -40.9 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.262 0.553 . . . . 0.0 111.18 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.41 -48.93 79.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.954 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.37 -71.53 0.5 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.005 0.431 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -81.25 162.48 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.477 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -89.18 101.29 13.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.257 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 136.07 33.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.54 151.93 42.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.57 -40.06 95.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.13 -47.79 84.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -64.47 -37.53 87.87 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.503 HD11 HD21 ' X' ' 15' ' ' LEU . 12.6 tp -58.72 -33.61 70.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.43 -20.94 65.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.5 mtp -62.95 -34.09 76.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.772 0.32 . . . . 0.0 110.738 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.17 -10.26 59.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.8 m -75.6 162.03 28.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.358 -179.683 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.773 0.32 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -162.2 145.87 11.95 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.778 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.28 -128.75 44.65 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.03 79.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.654 0.264 . . . . 0.0 110.634 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.04 -42.47 98.53 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.464 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.8 -42.53 85.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.42 -44.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.11 -44.56 96.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.33 98.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -60.77 -43.52 97.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.21 -40.97 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.83 -50.15 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.14 -44.28 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -119.1 62.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.61 99.76 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -98.58 -40.01 8.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.18 -40.18 95.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 -176.68 44.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -156.7 163.32 39.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 40.7 p90 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.64 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 25.5 pt . . . . . 0 C--O 1.233 0.233 0 CA-C-O 120.782 0.325 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.05 -45.33 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.22 -39.12 93.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.529 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.18 -51.18 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.255 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 93.9 m -71.35 -40.59 70.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.185 0.517 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.45 -48.02 83.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.917 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -85.83 -67.31 0.82 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.048 0.451 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -80.96 162.26 23.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.537 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.0 t -91.94 91.92 8.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.38 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -77.58 149.69 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.43 154.12 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.523 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.09 -37.38 86.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -57.59 -41.0 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -86.18 -18.45 32.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -63.43 -11.84 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.9 mtp -65.29 -37.03 85.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -77.49 -10.07 59.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.787 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -80.63 147.92 30.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 110.428 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.536 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 -179.627 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' X' ' 14' ' ' ALA . 83.3 mt . . . . . 0 N--CA 1.456 -0.134 0 CA-C-O 120.829 0.347 . . . . 0.0 110.231 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -165.1 151.16 9.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.767 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -131.8 52.23 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.68 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.695 0.283 . . . . 0.0 110.726 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.49 -42.07 95.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 110.209 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.35 -43.79 96.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.2 -47.19 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 0.0 110.92 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.87 -42.72 97.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.39 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.66 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.3 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.76 -41.96 95.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.319 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.46 -49.51 76.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.385 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.77 -46.89 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.75 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 79.0 m -76.52 -19.32 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.641 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.79 -153.6 44.12 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -17.6 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.657 0.265 . . . . 0.0 110.703 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -60.5 -38.02 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.65 -173.0 47.11 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -151.03 161.31 42.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.007 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 44.2 p90 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.348 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.434 HG23 ' CE1' ' X' ' 61' ' ' TYR . 82.0 mt . . . . . 0 N--CA 1.453 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.776 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.9 -46.81 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.58 -39.9 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -50.38 72.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.174 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m -70.51 -41.13 73.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.935 0.398 . . . . 0.0 110.96 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.86 -48.19 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.746 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -87.11 -68.0 0.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.123 0.487 . . . . 0.0 110.668 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.6 167.47 20.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 71.8 m -94.94 84.56 4.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -69.31 144.73 53.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.475 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.02 145.52 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.986 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.23 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.46 -46.78 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.89 -37.0 84.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.994 0.426 . . . . 0.0 110.312 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.56 -33.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.429 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.86 -22.57 64.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 84.2 mmm -60.61 -34.57 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.745 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.8 m-85 -78.29 6.94 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -74.77 165.76 24.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.829 0.347 . . . . 0.0 110.248 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' X' ' 25' ' ' TYR . . . . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.891 0.377 . . . . 0.0 110.566 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -137.82 151.35 48.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.79 -152.01 20.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.44 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.74 0.305 . . . . 0.0 110.337 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.3 -41.91 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.555 HD23 HG13 ' X' ' 45' ' ' VAL . 59.4 tp -64.82 -43.07 94.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.857 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.83 -42.26 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.744 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.33 -39.34 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.29 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.09 94.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' X' ' 58' ' ' LEU . 75.4 mt -60.8 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -66.44 -38.64 87.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.09 -49.62 76.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . 0.704 HG21 HD22 ' X' ' 58' ' ' LEU . 70.7 t -64.16 -46.58 93.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.7 -38.2 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.32 -130.44 48.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.68 -34.85 71.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.753 0.311 . . . . 0.0 110.615 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -61.74 -38.12 86.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 -168.01 18.65 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.83 159.72 41.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 p90 . . . . . 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' X' ' 44' ' ' ILE . 24.0 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.674 0.273 . . . . 0.0 110.509 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . 0.555 HG13 HD23 ' X' ' 11' ' ' LEU . 48.9 t -66.61 -46.35 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.79 -37.02 86.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.714 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.41 -51.63 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.914 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -71.51 -41.02 69.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.988 0.423 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.6 -48.32 82.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.751 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -86.38 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -79.45 162.8 25.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.536 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -92.23 87.91 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.473 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -76.03 154.66 35.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . 0.427 ' O ' HD12 ' X' ' 58' ' ' LEU . 98.6 m-20 -105.39 171.22 7.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.51 -35.43 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.93 -42.95 90.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.688 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.704 HD22 HG21 ' X' ' 18' ' ' VAL . 1.8 mp -61.03 -42.04 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.578 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.7 -37.41 84.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.29 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.744 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.53 -25.47 61.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.45 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.4 156.74 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.499 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.563 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 C--O 1.232 0.168 0 N-CA-C 110.334 -0.247 . . . . 0.0 110.334 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t 71.63 164.84 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.59 0.556 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.75 -129.43 48.4 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.98 75.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.659 0.266 . . . . 0.0 110.318 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.34 -36.65 82.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.127 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.461 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.2 OUTLIER -64.64 -50.36 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.55 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.29 -45.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 -42.56 94.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.023 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.12 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.039 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.02 -42.5 99.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.84 -41.51 91.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -63.52 -50.89 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.841 0.353 . . . . 0.0 111.361 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.7 -49.67 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.366 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.31 -39.47 85.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.1 -126.81 41.41 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.54 -35.0 71.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.419 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 96.5 mtm-85 -60.75 -39.14 87.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.96 -173.71 34.55 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -152.51 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 p90 . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.733 179.811 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.42 HG23 ' CE1' ' X' ' 61' ' ' TYR . 81.1 mt . . . . . 0 N--CA 1.454 -0.266 0 CA-C-O 120.716 0.293 . . . . 0.0 110.704 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.92 -46.13 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.62 -39.04 93.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.33 -51.04 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.475 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.5 m -71.21 -40.45 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.264 0.554 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.0 t -61.23 -48.66 80.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.995 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -86.92 -67.09 0.84 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.63 165.51 21.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.5 m -94.01 85.14 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -68.35 148.11 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.67 141.42 55.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.81 -40.09 95.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.459 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -59.54 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.46 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -62.55 -38.28 89.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' X' ' 61' ' ' TYR . 14.8 tp -59.41 -35.43 73.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -54.42 -23.31 15.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.634 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 87.7 mmm -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.42 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.2 m-85 -80.51 28.11 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.49 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.3 m -100.01 145.61 27.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.462 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.61 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 CA--C 1.527 0.088 0 CA-C-O 120.713 0.292 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -137.14 160.22 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.44 -148.06 38.28 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.92 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 110.687 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -56.4 -46.71 80.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.308 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.01 -41.17 97.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.36 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.73 -43.79 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.04 -41.72 97.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.55 94.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.454 HD21 HD11 ' X' ' 58' ' ' LEU . 76.6 mt -61.92 -43.29 99.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.525 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.68 -41.05 92.9 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.09 -49.98 75.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.673 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.6 -48.37 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.032 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 90.8 m -67.43 -37.73 83.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.171 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -129.57 42.11 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.91 -32.01 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.51 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.49 -39.48 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 -171.66 44.71 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -153.55 161.69 41.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.31 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 p90 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.349 -179.805 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 pt . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.737 0.303 . . . . 0.0 110.319 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.27 -48.24 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.93 -42.58 97.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.11 -50.8 71.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.565 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -70.94 -40.54 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.53 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.62 -47.26 86.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -86.63 -69.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -79.77 163.44 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.503 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -89.4 113.5 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.47 135.88 48.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -76.45 151.48 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.37 -36.48 84.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.18 -49.04 77.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.745 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.13 -23.07 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.484 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.454 HD11 HD21 ' X' ' 15' ' ' LEU . 15.7 tp -65.12 -38.98 92.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.892 0.377 . . . . 0.0 110.129 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.47 -21.09 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -77.39 0.32 22.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -69.21 150.6 47.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 110.149 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.576 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.861 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.795 0.331 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -162.8 134.18 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.1 -146.81 16.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.8 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.21 -43.94 95.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.657 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.6 tp -62.79 -47.29 84.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.968 0.413 . . . . 0.0 110.541 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.75 -43.98 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.13 0.49 . . . . 0.0 110.613 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.98 -39.42 92.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.75 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.771 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.34 95.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.376 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -67.04 -50.33 62.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.791 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.39 -49.81 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.186 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.6 m -71.27 -41.97 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.36 -130.34 43.76 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.23 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.745 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.527 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 -172.94 50.75 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -155.35 164.66 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.819 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.1 pt . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.708 0.289 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . 0.459 ' HA ' HD21 ' X' ' 11' ' ' LEU . 54.1 t -63.64 -48.33 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.039 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.59 -39.47 93.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.91 -51.42 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.678 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -70.93 -40.58 72.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 111.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.49 -47.47 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.94 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -86.3 -70.47 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -80.25 165.19 22.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -89.64 119.4 30.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 p -113.1 134.4 54.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.56 154.77 40.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.5 -39.77 94.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.97 -46.45 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.51 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -64.04 -38.99 93.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.25 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.1 tp -59.77 -35.94 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.872 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.23 -35.33 73.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 74.2 mtm -60.75 -19.5 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.461 ' CD1' HD12 ' X' ' 58' ' ' LEU . 18.2 m-30 -75.51 -11.59 60.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.617 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -67.74 147.26 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.353 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.388 -179.692 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.758 0.313 . . . . 0.0 110.434 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.17 151.15 51.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.8 -125.87 40.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.36 77.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.6 0.238 . . . . 0.0 110.584 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.96 -43.59 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.509 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.12 -42.24 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.998 0.428 . . . . 0.0 110.583 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.81 -44.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.51 -45.76 92.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.419 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.63 -42.59 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -65.86 -40.7 91.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.78 -50.87 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.646 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.83 -48.88 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.297 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -67.54 -39.41 85.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 0.0 110.191 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.71 -131.93 49.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -58.25 -33.66 69.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.401 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.2 mtm-85 -62.17 -39.31 92.23 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.536 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.74 -167.36 29.81 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -155.79 160.0 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.514 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 p90 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.462 -179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.561 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 84.3 mt . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.75 0.31 . . . . 0.0 110.736 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -62.43 -46.35 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.37 -37.8 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.763 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.81 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.25 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 92.2 m -71.86 -40.03 69.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 110.94 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.83 -47.34 86.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.871 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -88.22 -67.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 0.0 110.54 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -78.73 159.35 27.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -89.59 90.5 8.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -75.79 143.87 41.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 136.95 57.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.03 -40.86 99.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.57 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.69 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -64.01 -22.47 66.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.199 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.497 HD12 ' HE1' ' X' ' 61' ' ' TYR . 6.4 tp -55.4 -24.78 31.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -62.41 -13.34 28.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 85.3 mmm -62.92 -38.48 91.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 110.497 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.561 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 2.9 m-85 -77.84 -18.84 55.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.604 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 99.3 m -67.51 158.8 31.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.441 -179.431 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' X' ' 14' ' ' ALA . 78.3 mt . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -150.26 150.77 31.98 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.71 -127.88 44.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.32 77.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.65 0.262 . . . . 0.0 110.676 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.49 -40.96 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.56 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.45 -49.16 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.95 -45.59 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.71 -42.81 99.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.763 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . 0.402 ' CB ' HD13 ' X' ' 6' ' ' LEU . . . -63.02 -41.22 99.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' X' ' 24' ' ' PHE . 70.6 mt -61.74 -42.92 99.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.401 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.52 -39.98 88.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.193 0.521 . . . . 0.0 110.384 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.29 -48.93 79.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.263 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -69.93 -47.65 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -128.38 72.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.753 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -72.41 0.94 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.05 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.59 -40.28 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.667 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.12 174.73 50.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' X' ' 15' ' ' LEU . 48.1 p90 -154.14 159.86 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.733 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 p90 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.957 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.419 HG23 ' CE1' ' X' ' 61' ' ' TYR . 87.5 mt . . . . . 0 N--CA 1.455 -0.216 0 CA-C-O 120.769 0.319 . . . . 0.0 110.777 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.17 -45.12 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.11 -40.25 97.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.39 -51.61 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.474 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.97 -40.25 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 111.124 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.82 -47.93 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.62 -71.08 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -80.19 165.77 22.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -92.01 91.11 7.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.67 146.86 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.573 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.08 145.74 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.54 -39.16 93.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.397 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.87 -45.48 92.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.71 -39.29 93.55 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.925 0.393 . . . . 0.0 110.262 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.29 -36.83 76.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.507 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.33 -20.98 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.33 -36.51 80.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 0.0 110.63 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.7 m-85 -80.73 24.72 0.47 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.488 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -97.04 156.36 16.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.016 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.453 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.545 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.457 -0.117 0 CA-C-O 120.823 0.344 . . . . 0.0 110.493 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -164.02 147.64 9.8 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -127.94 46.47 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.69 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.608 0.242 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.09 -41.84 98.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.389 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.82 -43.77 95.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.28 -46.09 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.68 -45.3 93.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.08 97.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.639 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.01 -40.35 97.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.16 -45.59 91.16 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.354 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -62.12 -50.64 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.606 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.0 -42.03 94.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.566 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 61.9 m -99.3 28.89 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.47 139.95 41.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 65.3 7.54 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 92.7 mtm-85 -127.15 -33.49 2.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.7 175.74 44.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -153.12 158.49 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 110.359 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 p90 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 -179.533 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 pt . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.773 0.32 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.2 -49.01 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.72 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.14 -40.14 94.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.41 -50.91 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.136 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.76 -40.55 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 111.345 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.23 -47.59 83.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -86.19 -67.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.375 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -80.78 163.56 23.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.882 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.81 86.8 6.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 23.6 p -73.1 159.11 34.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.527 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -92.97 148.42 22.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.189 0.519 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.59 -31.32 70.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -58.21 -48.95 78.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.517 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.771 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' X' ' 61' ' ' TYR . 13.3 tp -60.84 -37.09 80.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.72 -26.15 56.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.978 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.7 mtm -63.45 -27.33 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.666 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' X' ' 58' ' ' LEU . 7.0 m-85 -77.22 -3.37 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.2 m -69.33 145.3 53.11 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.142 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . 0.498 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.452 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.438 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.842 0.353 . . . . 0.0 110.359 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -164.05 138.92 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -145.06 17.46 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.68 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.73 -43.18 94.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.338 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.43 -43.64 98.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.632 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.49 -44.16 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.76 -40.75 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.88 90.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.14 -44.24 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.04 -41.88 97.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 0.0 110.479 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.03 -50.32 73.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.52 -41.38 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.601 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.3 m -86.1 5.98 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.697 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.86 -129.86 22.51 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -92.91 -3.9 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.003 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -65.62 -39.51 91.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.75 -178.91 39.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.76 166.64 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 110.97 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 p90 . . . . . 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 -179.246 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 34.9 pt . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.728 0.299 . . . . 0.0 110.485 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.18 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.75 -37.62 88.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.43 -51.06 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.9 m -72.31 -41.02 67.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -59.65 -49.17 78.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.794 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -83.75 -71.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.014 0.435 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -80.94 161.53 24.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -89.18 96.43 10.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.6 144.23 35.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.0 150.87 30.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.15 -38.96 92.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -58.75 -46.99 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.76 -39.13 93.11 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.727 0.298 . . . . 0.0 110.484 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.11 -28.7 66.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.144 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -61.47 -33.77 74.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.959 0.409 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtm -69.6 -13.85 62.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -76.04 -12.13 60.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 69.9 m -69.43 152.11 45.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.542 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 -179.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 N--CA 1.455 -0.221 0 CA-C-O 120.776 0.322 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 91.4 m -130.42 148.19 52.21 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.81 -128.57 47.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.84 76.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.693 0.282 . . . . 0.0 110.596 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.13 -40.76 95.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.65 -43.63 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.539 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.52 -43.41 94.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.12 -45.21 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.289 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.09 95.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.58 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.577 HD21 HD11 ' X' ' 58' ' ' LEU . 74.1 mt -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.643 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.52 -39.78 88.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.75 -49.12 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.05 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.88 -46.63 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -124.58 66.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -44.64 95.65 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -83.3 -53.13 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.6 mtm180 -62.68 -40.92 98.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.51 -174.82 54.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -152.64 159.56 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.9 p90 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.608 179.902 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.503 HD13 ' CD2' ' X' ' 61' ' ' TYR . 90.9 mt . . . . . 0 N--CA 1.454 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.3 -46.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.775 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.15 -37.3 86.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.522 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.1 -52.67 64.36 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.086 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.81 -40.07 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.919 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.82 -46.45 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.743 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -88.15 -67.18 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.452 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -81.24 149.58 28.96 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -81.51 89.13 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.436 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -75.15 143.34 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.47 150.66 48.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.54 -38.12 88.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -60.21 -45.85 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.424 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -62.86 -38.75 92.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.035 0.445 . . . . 0.0 110.302 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.577 HD11 HD21 ' X' ' 15' ' ' LEU . 18.3 tp -60.11 -37.54 80.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.78 -20.54 61.66 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.652 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.55 -30.64 70.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.703 0.287 . . . . 0.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.503 ' CD2' HD13 ' X' ' 44' ' ' ILE . 16.0 m-85 -78.74 1.38 23.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.43 153.05 24.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 110.529 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.466 -179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' X' ' 14' ' ' ALA . 75.8 mt . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.733 0.301 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -164.12 146.79 9.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.781 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.07 -127.32 44.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.93 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.22 -40.61 96.7 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.215 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.437 HD23 HG22 ' X' ' 45' ' ' VAL . 65.5 tp -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.45 -46.04 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.22 -42.96 99.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.87 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.82 -43.52 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.35 -42.51 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.455 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.49 -50.5 71.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.928 0.394 . . . . 0.0 111.782 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.38 -49.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.36 -38.68 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.55 -129.21 39.33 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.89 -39.49 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.23 -177.27 48.84 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -151.51 161.32 42.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.516 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.2 p90 . . . . . 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.466 -179.873 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 92.2 mt . . . . . 0 N--CA 1.452 -0.368 0 CA-C-O 120.91 0.386 . . . . 0.0 110.429 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . 0.437 HG22 HD23 ' X' ' 11' ' ' LEU . 51.7 t -64.01 -45.16 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.679 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.38 -38.65 90.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.85 -51.13 70.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.36 -40.48 70.62 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.162 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.0 t -61.58 -47.98 83.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.786 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -85.7 -69.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 0.0 110.349 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -79.58 162.12 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.747 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -90.81 95.69 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.449 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -81.13 138.25 35.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.369 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -65.74 145.86 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.49 -39.06 93.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.399 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.85 -46.28 89.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -62.63 -39.35 93.53 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.4 tp -60.66 -31.83 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.532 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -30.26 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 72.8 mtm -61.47 -20.62 63.36 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.7 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.564 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 32.2 m-85 -76.32 -8.72 57.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -69.91 146.86 50.91 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.361 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.594 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.362 -179.935 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.797 0.332 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 84.2 m -132.02 156.57 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.57 -124.31 35.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.46 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.536 0.208 . . . . 0.0 110.753 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.01 -47.45 80.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.892 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.42 -45.77 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.03 -42.02 98.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.85 98.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.736 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.62 -43.04 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -65.41 -40.75 93.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.74 -48.61 81.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.38 -45.67 95.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.8 m -126.36 69.27 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.698 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 -68.53 1.63 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.56 -46.29 86.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 83.9 mtp180 -63.61 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.35 174.74 50.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.21 158.42 43.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.604 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 p90 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 -179.903 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.2 -45.96 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.64 -39.32 93.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.88 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.919 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -71.84 -40.77 68.84 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.076 0.465 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.33 -47.53 85.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.854 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -84.76 -72.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.38 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -81.13 163.2 23.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -88.85 94.17 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.327 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -76.37 147.27 38.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.96 140.47 57.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.01 -40.02 95.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -59.68 -49.08 79.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.507 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -61.31 -36.71 80.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.018 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -58.98 -35.46 73.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.365 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -58.34 -17.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 89.0 mmm -60.12 -37.06 78.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.414 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -81.27 28.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.311 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.56 147.31 29.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.28 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.469 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.425 -179.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 CA--C 1.522 -0.102 0 CA-C-O 120.75 0.31 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.25 84.71 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.111 0.481 . . . . 0.0 110.554 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.99 -139.81 8.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.58 75.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.579 0.228 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.78 -42.21 92.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.539 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.15 -47.94 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.619 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.27 -45.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.151 0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.81 -39.33 93.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.48 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -66.74 -41.22 88.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.3 -49.35 77.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.85 -45.91 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.32 62.68 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.788 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.71 95.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.516 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.13 -51.69 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.54 -39.92 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.95 -176.42 53.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.1 159.22 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.863 0.363 . . . . 0.0 110.567 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 . . . . . 0 C--N 1.325 -0.466 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.559 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.437 HG23 ' N ' ' X' ' 45' ' ' VAL . 8.7 tt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.747 0.308 . . . . 0.0 110.459 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . 0.437 ' N ' HG23 ' X' ' 44' ' ' ILE . 55.6 t -63.29 -45.32 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.19 -38.71 92.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.83 -51.28 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.384 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.4 -40.73 70.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.24 -50.42 73.14 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -83.33 -67.48 0.79 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.21 162.65 23.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.496 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -91.61 83.72 5.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.413 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.0 p -67.77 134.01 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.67 151.17 42.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.0 -40.4 95.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -60.5 -48.01 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -63.24 -36.61 84.23 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.66 -36.94 77.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.533 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -58.73 -17.59 24.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.3 mtp -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 111.008 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.415 ' CG ' HD12 ' X' ' 44' ' ' ILE . 19.1 m-85 -75.02 -8.49 56.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -70.8 152.48 43.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.447 -0.583 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.455 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 mt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.754 0.311 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.0 146.62 45.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.481 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.42 -123.18 32.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.43 -40.86 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.319 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 tp -62.61 -48.16 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.415 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.78 -46.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.67 98.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.01 -42.69 99.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.44 -40.74 93.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.44 -49.67 76.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.55 -43.46 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.494 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 70.7 m -121.06 64.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.94 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.76 99.53 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -91.48 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.147 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.33 -41.19 96.92 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.01 175.28 38.73 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -149.31 159.42 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.0 p90 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.853 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt . . . . . 0 N--CA 1.452 -0.35 0 CA-C-O 120.681 0.277 . . . . 0.0 110.73 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.2 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.75 -37.17 85.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.67 -51.63 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.856 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.84 -40.17 69.24 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -86.62 -67.27 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.462 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.71 162.68 24.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.672 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.64 85.74 5.78 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.182 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.1 p -67.38 150.46 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.92 139.19 58.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.49 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.74 -39.4 94.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.414 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -60.05 -44.92 94.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.583 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.44 -39.94 92.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.949 0.404 . . . . 0.0 110.579 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' X' ' 61' ' ' TYR . 9.6 tp -59.46 -35.71 74.58 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.5 -37.01 72.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.77 0.319 . . . . 0.0 110.692 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.62 -13.49 32.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' X' ' 58' ' ' LEU . 13.1 m-30 -73.8 -24.74 59.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.11 0.481 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 65.2 m -66.96 169.95 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.233 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 -179.348 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.786 0.327 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.72 138.86 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.295 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.19 -148.44 18.89 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.25 -42.03 94.48 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.539 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' X' ' 45' ' ' VAL . 65.5 tp -63.21 -46.9 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.495 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.4 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.27 -40.13 95.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.82 93.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.473 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.456 HD21 HD11 ' X' ' 58' ' ' LEU . 73.1 mt -61.14 -42.17 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.726 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.3 -41.91 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.23 -50.53 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.553 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.36 -49.01 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -68.97 -37.24 78.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.653 . . . . 0.0 110.245 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.45 46.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.89 -34.56 71.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.69 0.281 . . . . 0.0 110.486 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . 0.613 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 90.7 mtm180 -61.4 -39.48 90.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.569 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.37 -163.68 30.83 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -156.41 162.5 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.678 0.275 . . . . 0.0 110.464 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.4 p90 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.483 -179.761 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 pt . . . . . 0 C--O 1.231 0.131 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . 0.425 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.4 t -62.71 -47.15 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 -38.65 90.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.1 70.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.104 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.9 m -71.95 -40.79 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.9 t -60.42 -47.8 84.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.84 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.13 -69.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.42 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -80.41 160.82 25.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.596 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -88.99 100.28 13.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.53 135.0 33.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.511 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -76.59 158.07 31.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.68 -39.83 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.22 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -59.63 -46.56 88.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.219 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.73 -38.95 90.55 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 120.994 0.426 . . . . 0.0 110.18 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.456 HD11 HD21 ' X' ' 15' ' ' LEU . 10.9 tp -56.41 -32.57 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -63.77 -21.83 66.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.94 -35.41 80.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.97 0.414 . . . . 0.0 110.615 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.07 -15.04 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 152.28 44.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . . . . . . 0 N--CA 1.45 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.55 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.801 0.334 . . . . 0.0 110.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -159.51 137.43 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.329 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.09 -149.63 18.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.56 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.534 0.207 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.26 -41.68 93.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.35 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.1 tp -62.3 -47.13 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.403 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.56 -45.82 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.25 -39.07 91.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.86 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.179 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.0 mt -61.71 -42.99 99.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.623 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -65.41 -40.64 93.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.194 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.09 -50.29 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.706 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.13 -47.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.6 m -66.98 -37.8 84.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.8 -128.8 45.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.37 -34.91 71.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.683 0.277 . . . . 0.0 110.574 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -61.18 -39.09 88.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.474 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.33 -172.49 26.64 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -152.44 162.81 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . 0.409 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 42.0 p90 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.8 pt . . . . . 0 N--CA 1.456 -0.149 0 CA-C-O 120.662 0.268 . . . . 0.0 110.646 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . 0.412 ' HA ' HD21 ' X' ' 11' ' ' LEU . 53.6 t -63.37 -47.31 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.26 -39.48 94.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.28 -50.8 71.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.443 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.33 -40.51 67.39 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.12 -47.09 87.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.031 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.52 -67.96 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.195 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.54 163.69 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -92.67 99.45 12.14 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.237 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.6 133.67 34.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.49 152.52 42.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.96 -39.69 95.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.728 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.27 -47.11 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.563 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.07 -40.26 95.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 120.93 0.395 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' X' ' 61' ' ' TYR . 7.6 tp -56.64 -32.1 65.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.143 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.2 -33.31 70.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.805 0.336 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 78.2 mtm -68.51 -11.33 59.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.42 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' X' ' 58' ' ' LEU . 12.7 m-30 -76.58 -17.5 59.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.82 156.62 23.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . 0.409 ' HB2' ' HD2' ' X' ' 25' ' ' TYR . . . . . . . . 0 N--CA 1.446 -0.645 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.367 -179.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' X' ' 14' ' ' ALA . 71.9 mt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.758 0.313 . . . . 0.0 110.467 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -132.71 157.68 44.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.37 -126.13 41.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.25 80.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.661 0.267 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.15 -42.04 97.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.89 -41.78 91.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.93 -43.53 92.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.919 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.72 -43.85 97.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.258 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -61.66 -42.26 98.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' X' ' 58' ' ' LEU . 44.3 mt -61.71 -42.84 99.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.43 -40.35 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.463 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.93 -49.52 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.68 -43.64 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -68.87 -18.3 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.335 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.71 55.63 3.13 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 60.29 42.76 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -130.69 118.15 20.5 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 109.881 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 154.6 28.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -127.18 145.46 50.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 p90 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.859 -179.684 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' X' ' 61' ' ' TYR . 81.9 mt . . . . . 0 N--CA 1.454 -0.247 0 CA-C-O 120.714 0.293 . . . . 0.0 110.672 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.7 t -66.57 -44.14 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.149 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.82 -39.43 94.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.88 -51.1 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.083 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.84 -40.64 68.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -61.4 -48.52 80.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -85.16 -68.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.187 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.89 162.09 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.741 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -91.38 90.74 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.161 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 28.8 p -72.71 142.72 48.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.69 139.39 58.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.06 -48.26 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -63.71 -37.77 88.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.912 0.386 . . . . 0.0 110.23 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' X' ' 15' ' ' LEU . 7.5 tp -58.73 -31.26 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.407 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -57.58 -31.99 66.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.439 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.96 -19.62 64.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' X' ' 44' ' ' ILE . 13.3 m-30 -76.59 -11.77 59.92 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.4 160.81 24.01 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.231 -179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 6' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' X' ' 14' ' ' ALA . 66.8 mt . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.835 0.35 . . . . 0.0 110.557 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 77.2 m -129.38 157.1 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.84 -124.74 37.12 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.83 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.638 0.256 . . . . 0.0 110.421 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.33 -43.07 92.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.16 -47.4 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.58 -46.66 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.6 -41.09 98.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 14' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -62.9 -42.2 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 15' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' X' ' 24' ' ' PHE . 80.0 mt -61.61 -42.25 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.95 -38.84 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.229 0.538 . . . . 0.0 110.184 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.29 -48.63 80.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -62.06 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.46 -77.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.09 30.53 75.9 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.69 -78.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.757 0.313 . . . . 0.0 110.666 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -62.25 -39.41 92.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.485 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.84 174.97 22.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 24' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' X' ' 15' ' ' LEU . 42.7 p90 -147.58 151.13 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 . . . . . 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.918 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 44' ' ' ILE . . . . . 0.422 ' HB ' ' CZ ' ' X' ' 61' ' ' TYR . 43.4 pt . . . . . 0 C--O 1.235 0.338 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.9 -46.2 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.811 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -32.48 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.29 -52.26 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.735 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.66 -40.68 66.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.718 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.5 t -60.37 -48.85 79.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.799 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -86.38 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -80.2 161.65 25.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.323 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -88.83 114.47 25.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.58 137.54 48.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.367 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.15 147.41 50.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.17 0.51 . . . . 0.0 110.909 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 55' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' X' ' 55' ' ' LEU . 84.1 mt -65.91 -35.58 81.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -56.24 -48.42 76.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.66 -22.55 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.11 -34.18 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -53.42 -22.59 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.57 -9.53 43.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 61' ' ' TYR . . . . . 0.422 ' CZ ' ' HB ' ' X' ' 44' ' ' ILE . 4.2 m-30 -70.91 -31.67 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.672 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.1 163.18 20.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 -179.507 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.313 0 N-CA-C 109.546 -1.422 . . . . 0.0 109.546 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -80.92 177.23 54.46 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.956 -0.858 . . . . 0.0 110.956 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -74.28 70.51 4.69 Favored 'Trans proline' 0 C--N 1.306 -1.696 0 C-N-CA 122.878 2.385 . . . . 0.0 112.091 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 57.9 47.69 14.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.352 -179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.4 p -128.18 160.5 31.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.645 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 76.8 mt -105.19 121.47 43.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.46 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 41.2 t -161.52 136.07 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.499 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.55 -147.57 18.58 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 111.143 -0.783 . . . . 0.0 111.143 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.32 84.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.746 0.307 . . . . 0.0 110.544 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.77 -40.49 92.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.458 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.405 HD21 ' HA ' ' X' ' 45' ' ' VAL . 69.4 tp -61.32 -46.04 91.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.982 0.42 . . . . 0.0 110.516 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.5 t -60.91 -41.61 89.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 121.181 0.515 . . . . 0.0 110.662 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -60.75 -41.9 96.34 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.384 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.78 -39.52 91.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.465 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.503 HD21 HD11 ' X' ' 58' ' ' LEU . 60.4 mt -62.46 -41.88 99.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.593 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 -64.32 -41.63 96.72 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.371 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -63.96 -50.46 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.428 179.256 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.5 t -62.91 -48.6 87.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.921 -178.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -68.75 -38.48 80.14 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.698 -179.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 92.65 -170.33 32.21 Favored Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.664 -0.974 . . . . 0.0 110.664 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 40.3 t0 -62.04 -14.27 34.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.626 0.25 . . . . 0.0 110.785 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -60.42 -38.08 82.91 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.42 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.73 -172.61 27.41 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 110.95 -0.86 . . . . 0.0 110.95 -179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.4 p90 -156.86 168.64 26.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.805 0.336 . . . . 0.0 110.942 -179.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.1 p90 -137.49 166.62 23.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.67 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . 0.456 ' CE2' HD11 ' X' ' 44' ' ' ILE . 97.1 m-85 -108.52 141.08 40.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.641 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.4 m-20 -72.98 155.08 40.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.456 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 58.6 mtmt -67.39 152.55 96.06 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.621 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -68.13 -19.23 45.22 Favored 'Trans proline' 0 C--N 1.308 -1.561 0 C-N-CA 122.849 2.366 . . . . 0.0 112.188 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 11.1 t -142.85 151.31 40.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.589 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -147.17 -95.71 0.17 Allowed Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 93.0 t80 -135.85 129.03 31.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.803 0.335 . . . . 0.0 110.541 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 90.03 177.57 44.9 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.897 -0.881 . . . . 0.0 110.897 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 83.7 p -113.39 -6.79 13.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.588 0.232 . . . . 0.0 110.86 179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 97.7 p -63.13 -36.61 84.2 Favored 'General case' 0 N--CA 1.449 -0.498 0 CA-C-O 120.717 0.294 . . . . 0.0 110.418 -179.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 89.4 p -65.32 -37.09 86.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.07 0.462 . . . . 0.0 110.728 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 80.1 ttt180 -62.28 -44.29 96.87 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.609 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 76.5 ttt-85 -61.51 -43.86 98.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.382 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -74.62 160.36 81.2 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.567 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 55.6 Cg_endo -74.02 62.32 4.93 Favored 'Trans proline' 0 C--N 1.309 -1.534 0 C-N-CA 122.798 2.332 . . . . 0.0 112.184 179.576 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.9 mm-40 -100.71 13.19 35.67 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.765 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 97.5 m -61.05 -44.81 96.83 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.547 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -163.52 152.31 22.23 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.701 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.456 HD11 ' CE2' ' X' ' 26' ' ' PHE . 32.7 pt -67.06 -30.26 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.607 0.241 . . . . 0.0 110.366 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.405 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.7 t -63.4 -47.55 91.31 Favored 'Isoleucine or valine' 0 CA--C 1.516 -0.329 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.058 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.56 -38.83 92.37 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.968 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -61.78 -50.66 71.44 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.127 -0.629 . . . . 0.0 111.332 -178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . 0.419 ' SG ' HD13 ' X' ' 58' ' ' LEU . 86.9 m -71.64 -40.9 69.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.262 0.553 . . . . 0.0 111.18 179.656 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.7 t -60.41 -48.93 79.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.954 -179.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 46.0 m-85 -83.37 -71.53 0.5 Allowed 'General case' 0 C--O 1.235 0.337 0 CA-C-O 121.005 0.431 . . . . 0.0 110.387 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -81.25 162.48 23.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.477 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 36.8 t -89.18 101.29 13.95 Favored 'General case' 0 C--N 1.325 -0.466 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.257 179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.4 p -86.15 136.07 33.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.511 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -72.54 151.93 42.15 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.938 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -62.57 -40.06 95.67 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.445 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -60.13 -47.79 84.46 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.614 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.8 ttt180 -64.47 -37.53 87.87 Favored 'General case' 0 N--CA 1.449 -0.511 0 N-CA-C 109.874 -0.417 . . . . 0.0 109.874 179.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.503 HD11 HD21 ' X' ' 15' ' ' LEU . 12.6 tp -58.72 -33.61 70.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.534 -179.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.43 -20.94 65.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.5 mtp -62.95 -34.09 76.74 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.772 0.32 . . . . 0.0 110.738 -179.64 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -75.17 -10.26 59.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.06 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.8 m -75.6 162.03 28.62 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 179.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.466 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -67.56 162.14 59.52 Favored Pre-proline 0 N--CA 1.447 -0.617 0 CA-C-O 120.923 0.392 . . . . 0.0 110.358 -179.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.466 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 51.6 Cg_exo -52.32 143.06 44.88 Favored 'Trans proline' 0 C--N 1.304 -1.812 0 C-N-CA 122.914 2.409 . . . . 0.0 112.139 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 75.7 mt -115.19 144.57 43.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.49 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -109.64 153.06 43.12 Favored Pre-proline 0 N--CA 1.452 -0.363 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.65 -179.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -70.85 155.28 62.64 Favored 'Trans proline' 0 C--N 1.309 -1.545 0 C-N-CA 122.783 2.322 . . . . 0.0 112.257 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.88 -39.45 89.29 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.507 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.9 tttp -91.32 127.01 36.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.75 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 74.3 m -65.21 148.75 51.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.587 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.603 -179.982 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.342 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.38 170.93 55.05 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -73.56 67.07 4.63 Favored 'Trans proline' 0 C--N 1.305 -1.738 0 C-N-CA 122.87 2.38 . . . . 0.0 112.205 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 54.36 41.54 31.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.561 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 13.7 t -149.77 150.94 32.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.609 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 1.5 mp -113.88 131.64 56.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 39.0 t -162.2 145.87 11.95 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.778 -179.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 61.28 -128.75 44.65 Favored Glycine 0 CA--C 1.524 0.633 0 N-CA-C 111.314 -0.714 . . . . 0.0 111.314 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -37.03 79.17 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.654 0.264 . . . . 0.0 110.634 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -61.04 -42.47 98.53 Favored 'General case' 0 C--N 1.331 -0.21 0 C-N-CA 120.794 -0.362 . . . . 0.0 110.464 -179.181 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -66.8 -42.53 85.82 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 24.3 t -58.42 -44.2 88.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -62.11 -44.56 96.38 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.444 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.61 -41.33 98.93 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.875 179.858 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 53.8 mt -60.77 -43.52 97.92 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.547 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -65.21 -40.97 94.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.366 179.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 52.9 t80 -60.83 -50.15 74.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.079 179.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.3 t -65.14 -44.28 95.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.817 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.0 m -119.1 62.09 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 -179.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.46 -41.61 99.76 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 111.193 -0.763 . . . . 0.0 111.193 179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.5 m-20 -98.58 -40.01 8.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.826 0.346 . . . . 0.0 110.979 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 99.3 mtt180 -64.18 -40.18 95.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.735 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.55 -176.68 44.94 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.869 -0.892 . . . . 0.0 110.869 179.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -156.7 163.32 39.42 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.83 0.348 . . . . 0.0 110.73 179.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 40.7 p90 -144.79 168.01 21.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.579 -179.64 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . 0.461 ' CE2' HD11 ' X' ' 44' ' ' ILE . 99.3 m-85 -108.32 133.83 51.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.515 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 99.3 m-20 -62.15 -39.31 92.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.575 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 37.7 mtmm -129.03 76.16 79.54 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.648 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 49.1 Cg_exo -55.48 -28.07 62.36 Favored 'Trans proline' 0 C--N 1.306 -1.698 0 C-N-CA 122.854 2.369 . . . . 0.0 111.86 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.7 p -125.37 161.35 27.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.513 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.33 12.71 16.31 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -83.94 109.21 17.43 Favored 'General case' 0 N--CA 1.451 -0.377 0 CA-C-O 120.871 0.367 . . . . 0.0 110.46 -179.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.11 -7.94 80.97 Favored Glycine 0 CA--C 1.528 0.902 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 95.7 p -119.09 -9.82 9.93 Favored 'General case' 0 N--CA 1.454 -0.255 0 N-CA-C 110.487 -0.19 . . . . 0.0 110.487 179.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -138.68 120.46 15.31 Favored 'General case' 0 N--CA 1.451 -0.387 0 CA-C-O 120.93 0.395 . . . . 0.0 110.53 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . 0.423 ' H ' ' HB3' ' X' ' 39' ' ' ALA . 47.6 t -156.87 147.46 21.5 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.521 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 93.7 mtt-85 56.59 -95.58 0.06 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.736 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 94.6 mtt-85 -134.27 33.38 3.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-O 120.906 0.384 . . . . 0.0 110.206 -179.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.423 ' HB3' ' H ' ' X' ' 36' ' ' SER . . . -69.63 163.7 57.09 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.473 -179.605 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 27.4 Cg_exo -60.32 81.42 0.07 OUTLIER 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 123.068 2.512 . . . . 0.0 112.147 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -91.96 14.33 16.03 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.75 179.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 59.8 p -75.74 165.86 24.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.456 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -158.72 -179.76 33.8 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.723 -0.951 . . . . 0.0 110.723 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' X' ' 26' ' ' PHE . 25.5 pt -65.58 -32.44 58.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-O 120.782 0.325 . . . . 0.0 110.404 -179.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.7 t -65.05 -45.33 94.73 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.428 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.026 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -63.22 -39.12 93.71 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.529 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -62.18 -51.18 68.87 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.222 -0.591 . . . . 0.0 111.255 -178.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 93.9 m -71.35 -40.59 70.59 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.185 0.517 . . . . 0.0 110.927 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.45 -48.02 83.05 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.917 -179.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -85.83 -67.31 0.82 Allowed 'General case' 0 C--O 1.236 0.344 0 CA-C-O 121.048 0.451 . . . . 0.0 110.329 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 94.1 mtt-85 -80.96 162.26 23.95 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.537 179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.0 t -91.94 91.92 8.09 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.38 179.787 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -77.58 149.69 34.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.372 179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -94.43 154.12 17.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.197 0.523 . . . . 0.0 110.978 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 91.5 mt -63.09 -37.38 86.98 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.589 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 51.6 tpt85 -57.59 -41.0 80.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.201 -179.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 15.2 ttp180 -86.18 -18.45 32.18 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -66.63 -35.17 79.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.807 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 57.7 p-10 -63.43 -11.84 26.33 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.064 -179.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.9 mtp -65.29 -37.03 85.92 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-O 120.825 0.345 . . . . 0.0 110.395 179.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -77.49 -10.07 59.26 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.787 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 80.0 m -80.63 147.92 30.48 Favored 'General case' 0 N--CA 1.456 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 110.428 179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.56 155.26 93.67 Favored Pre-proline 0 N--CA 1.448 -0.536 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.443 -179.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 59.2 Cg_endo -74.74 156.4 44.18 Favored 'Trans proline' 0 C--N 1.304 -1.794 0 C-N-CA 122.992 2.462 . . . . 0.0 112.243 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 87.8 mt -72.3 145.08 48.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.587 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 74.1 mmtt -74.22 152.99 88.32 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.535 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_endo -70.68 158.91 54.41 Favored 'Trans proline' 0 C--N 1.308 -1.585 0 C-N-CA 122.858 2.372 . . . . 0.0 112.336 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.11 -39.15 88.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.568 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.48 -45.38 91.81 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.596 -179.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 48.2 t -61.8 -42.82 99.5 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.57 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.538 -179.845 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.292 0 N-CA-C 109.574 -1.41 . . . . 0.0 109.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.33 -175.09 47.24 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.036 -0.825 . . . . 0.0 111.036 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -75.37 63.16 6.28 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.746 2.297 . . . . 0.0 112.011 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 78.3 mm-40 -93.35 2.86 56.38 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.104 179.615 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 87.9 m -106.21 125.75 51.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.366 . . . . 0.0 110.55 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . 0.434 HD22 ' HB2' ' X' ' 14' ' ' ALA . 83.3 mt -108.71 125.52 52.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.231 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 15.9 t -165.1 151.16 9.96 Favored 'General case' 0 C--O 1.238 0.471 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.767 -179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.5 -131.8 52.23 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 111.442 -0.663 . . . . 0.0 111.442 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.82 -37.68 82.81 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.695 0.283 . . . . 0.0 110.726 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.49 -42.07 95.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.849 0.357 . . . . 0.0 110.209 -179.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -63.35 -43.79 96.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.851 179.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.2 -47.19 87.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 120.976 0.417 . . . . 0.0 110.92 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -63.87 -42.72 97.46 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.39 179.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . 0.434 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.66 92.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.827 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 55.4 mt -61.3 -43.64 98.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.621 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -64.76 -41.96 95.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.319 179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -61.46 -49.51 76.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.385 179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 73.1 t -61.77 -46.89 95.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.75 -178.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 79.0 m -76.52 -19.32 58.08 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.641 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 75.79 -153.6 44.12 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 -179.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -63.42 -17.6 62.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.657 0.265 . . . . 0.0 110.703 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 90.7 mtm180 -60.5 -38.02 82.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 0.0 110.449 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.65 -173.0 47.11 Favored Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 48.6 p90 -151.03 161.31 42.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 0.0 111.007 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.403 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 44.2 p90 -147.26 161.81 40.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.348 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -113.7 -18.27 11.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.809 179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 58.0 t30 -145.57 -56.96 0.31 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 110.367 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 38.1 mtmm -131.77 153.83 81.59 Favored Pre-proline 0 C--N 1.327 -0.39 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.886 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_endo -65.36 -24.66 57.25 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 122.713 2.276 . . . . 0.0 112.2 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 82.0 p -130.57 159.67 36.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.632 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -162.82 41.11 0.35 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 111.075 -0.81 . . . . 0.0 111.075 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -60.03 -27.17 66.7 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.912 0.387 . . . . 0.0 110.535 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.08 151.54 48.99 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.921 -0.872 . . . . 0.0 110.921 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 70.3 m -104.63 -0.04 28.01 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.621 0.248 . . . . 0.0 110.842 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 51.8 p -65.11 -20.75 66.62 Favored 'General case' 0 N--CA 1.452 -0.33 0 CA-C-O 120.73 0.3 . . . . 0.0 110.687 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 45.3 t -143.1 145.54 32.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.506 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -70.54 153.71 42.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.55 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 31.6 tpt180 -61.35 -45.79 92.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.772 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.5 76.23 77.82 Favored Pre-proline 0 C--N 1.326 -0.438 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.521 -179.335 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -82.89 30.27 0.54 Allowed 'Trans proline' 0 C--N 1.305 -1.719 0 C-N-CA 122.988 2.459 . . . . 0.0 112.442 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 65.1 tt0 -150.83 108.96 3.73 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.227 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 77.5 p -77.63 162.86 26.72 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.412 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.65 -68.19 0.36 Allowed Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.434 HG23 ' CE1' ' X' ' 61' ' ' TYR . 82.0 mt -61.74 -47.79 91.68 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.311 0 CA-C-O 120.648 0.261 . . . . 0.0 110.776 179.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 55.0 t -62.9 -46.81 95.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.955 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.58 -39.9 95.58 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.93 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.9 tp10 -62.03 -50.38 72.27 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.325 -0.55 . . . . 0.0 111.174 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.8 m -70.51 -41.13 73.02 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.935 0.398 . . . . 0.0 110.96 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.86 -48.19 81.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.746 -179.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -87.11 -68.0 0.78 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.123 0.487 . . . . 0.0 110.668 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -79.6 167.47 20.67 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.752 179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 71.8 m -94.94 84.56 4.17 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -69.31 144.73 53.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.475 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -73.02 145.52 46.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.986 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -64.23 -38.38 90.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.614 179.375 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -58.46 -46.78 85.88 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.535 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 48.1 ttp85 -65.89 -37.0 84.96 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 120.994 0.426 . . . . 0.0 110.312 179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.56 -33.34 71.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.429 -179.583 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -60.86 -22.57 64.38 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.189 -179.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 84.2 mmm -60.61 -34.57 74.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.745 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.434 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.8 m-85 -78.29 6.94 7.2 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.288 -178.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 85.9 m -74.77 165.76 24.7 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 120.829 0.347 . . . . 0.0 110.248 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.403 ' HB2' ' HD2' ' X' ' 25' ' ' TYR . . . -117.7 91.35 38.39 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.423 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -58.35 147.55 84.48 Favored 'Trans proline' 0 N--CA 1.497 1.733 0 C-N-CA 123.174 2.583 . . . . 0.0 112.028 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 84.7 mt -73.14 144.3 46.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.367 -179.69 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.9 mttt -70.82 157.43 90.26 Favored Pre-proline 0 C--N 1.325 -0.472 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.844 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 52.1 Cg_exo -55.17 140.87 81.12 Favored 'Trans proline' 0 N--CA 1.497 1.732 0 C-N-CA 122.563 2.175 . . . . 0.0 111.895 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.5 -40.74 95.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.854 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -151.9 161.57 42.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.637 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 99.5 p -63.53 -24.35 67.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.615 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.61 179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.386 0 N-CA-C 109.519 -1.432 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 175.73 -173.96 46.57 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.944 -0.862 . . . . 0.0 110.944 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -73.06 69.95 3.78 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 C-N-CA 122.862 2.374 . . . . 0.0 112.122 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 59.05 43.95 16.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.644 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 74.0 p -132.04 160.98 34.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.629 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.4 mt -89.81 87.31 6.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.566 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 76.4 m -137.82 151.35 48.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.5 179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.79 -152.01 20.82 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -36.44 78.46 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.74 0.305 . . . . 0.0 110.337 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -59.3 -41.91 90.08 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.545 -179.414 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.555 HD23 HG13 ' X' ' 45' ' ' VAL . 59.4 tp -64.82 -43.07 94.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 110.857 179.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 33.3 t -60.83 -42.26 91.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.744 179.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.6 t0 -60.33 -39.34 86.69 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.29 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.3 -42.09 94.78 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.398 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.435 ' HA ' HD23 ' X' ' 58' ' ' LEU . 75.4 mt -60.8 -44.14 97.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.669 179.503 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 11.1 tp-100 -66.44 -38.64 87.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.651 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.7 t80 -60.09 -49.62 76.94 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.049 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . 0.704 HG21 HD22 ' X' ' 58' ' ' LEU . 70.7 t -64.16 -46.58 93.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.97 -178.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 72.8 m -66.7 -38.2 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.515 -179.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.32 -130.44 48.81 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -58.68 -34.85 71.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.753 0.311 . . . . 0.0 110.615 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 6.6 mmp_? -61.74 -38.12 86.78 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.543 -179.422 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.64 -168.01 18.65 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 111.018 -0.833 . . . . 0.0 111.018 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 45.8 p90 -153.83 159.72 41.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.722 0.296 . . . . 0.0 110.571 179.331 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.2 p90 -154.63 167.54 29.79 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.536 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -117.16 135.99 53.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.507 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -91.86 108.43 19.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.587 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 96.4 mttt 49.99 61.99 12.66 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.681 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -68.51 -24.12 36.5 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 122.811 2.341 . . . . 0.0 112.114 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.4 p -134.67 161.93 33.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.479 -179.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 176.11 134.61 1.98 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.843 -0.903 . . . . 0.0 110.843 179.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -63.71 -25.14 68.06 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.837 0.351 . . . . 0.0 110.655 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.9 -38.97 96.9 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 96.9 p -95.47 -13.75 24.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.868 0.366 . . . . 0.0 110.569 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 22.4 p -68.6 -8.79 45.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.568 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 91.2 p -61.23 -41.36 96.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.098 -179.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 85.9 mtm180 -151.43 11.09 0.6 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.993 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 83.6 mtp180 -136.51 144.36 44.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.615 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.555 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -137.75 161.7 58.68 Favored Pre-proline 0 C--N 1.327 -0.401 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.649 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . 0.555 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 55.8 Cg_endo -75.48 67.63 6.29 Favored 'Trans proline' 0 C--N 1.306 -1.673 0 C-N-CA 122.807 2.338 . . . . 0.0 112.017 179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -99.23 12.13 37.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.654 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 9.0 t -146.31 151.31 37.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.609 -179.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 166.78 -170.73 41.4 Favored Glycine 0 CA--C 1.527 0.83 0 N-CA-C 110.898 -0.881 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.4 HD13 HG21 ' X' ' 44' ' ' ILE . 24.0 pt -64.57 -32.16 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.674 0.273 . . . . 0.0 110.509 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.555 HG13 HD23 ' X' ' 11' ' ' LEU . 48.9 t -66.61 -46.35 86.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.942 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.6 m-20 -64.79 -37.02 86.2 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.714 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -61.41 -51.63 67.96 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.671 -0.411 . . . . 0.0 110.914 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 86.7 m -71.51 -41.02 69.74 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.988 0.423 . . . . 0.0 110.907 -179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 49.2 t -60.6 -48.32 82.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.751 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.7 m-85 -86.38 -67.35 0.82 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.513 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.9 mtp180 -79.45 162.8 25.24 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.536 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 73.6 m -92.23 87.91 6.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.473 179.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 20.9 p -76.03 154.66 35.53 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.509 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . 0.427 ' O ' HD12 ' X' ' 58' ' ' LEU . 98.6 m-20 -105.39 171.22 7.44 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.771 -179.672 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -53.51 -35.43 60.65 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.585 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 57.6 ttt85 -58.93 -42.95 90.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.579 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 2.7 mpp_? -62.26 -43.25 99.26 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.688 179.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.704 HD22 HG21 ' X' ' 18' ' ' VAL . 1.8 mp -61.03 -42.04 97.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.578 179.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -61.7 -37.41 84.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.389 179.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 97.7 mtp -63.29 -38.39 90.97 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.744 -179.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 5.6 m-85 -72.53 -25.47 61.39 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.45 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.4 156.74 21.76 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.343 -0.389 . . . . 0.0 110.499 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -62.34 149.24 88.08 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.652 -179.563 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 55.2 Cg_endo -73.1 156.44 51.67 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.886 2.391 . . . . 0.0 112.136 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.22 37.12 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.695 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -72.03 158.81 86.98 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.662 -179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 44.1 Cg_exo -56.31 140.85 88.93 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 C-N-CA 122.845 2.363 . . . . 0.0 112.02 -179.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -66.6 141.36 57.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.564 -179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 64.5 pttt -154.4 162.09 41.35 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.487 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 72.0 m -63.33 -41.45 98.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.713 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.581 -179.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.262 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 78.67 -167.21 52.77 Favored Glycine 0 CA--C 1.526 0.754 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -75.32 68.69 5.96 Favored 'Trans proline' 0 C--N 1.305 -1.747 0 C-N-CA 122.745 2.297 . . . . 0.0 112.011 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -130.14 118.46 21.5 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.009 0.433 . . . . 0.0 110.39 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 72.6 p -131.03 162.48 29.71 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.577 179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 84.1 mt -127.53 176.65 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.334 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.1 t 71.63 164.84 0.28 Allowed 'General case' 0 C--O 1.234 0.282 0 O-C-N 123.59 0.556 . . . . 0.0 110.784 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.75 -129.43 48.4 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.16 -0.776 . . . . 0.0 111.16 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.48 -35.98 75.13 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.659 0.266 . . . . 0.0 110.318 -179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -62.34 -36.65 82.86 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.127 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.461 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.2 OUTLIER -64.64 -50.36 67.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.55 -179.718 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 27.5 t -62.29 -45.59 98.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.135 0.493 . . . . 0.0 111.092 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -64.97 -42.56 94.46 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.833 -0.622 . . . . 0.0 111.023 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.12 98.94 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.039 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 73.0 mt -63.02 -42.5 99.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.468 -0.333 . . . . 0.0 110.649 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -65.84 -41.51 91.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.494 179.546 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -63.52 -50.89 67.82 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.841 0.353 . . . . 0.0 111.361 179.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.3 t -64.7 -49.67 79.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.366 -179.084 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.4 m -67.31 -39.47 85.9 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.448 -179.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.1 -126.81 41.41 Favored Glycine 0 CA--C 1.522 0.527 0 N-CA-C 110.873 -0.891 . . . . 0.0 110.873 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -58.54 -35.0 71.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 120.852 0.358 . . . . 0.0 110.419 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.405 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 96.5 mtm-85 -60.75 -39.14 87.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.571 -179.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.96 -173.71 34.55 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -152.51 159.41 43.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.607 179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 55.0 p90 -127.75 -22.89 3.49 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.733 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 92.1 t80 -61.51 141.13 57.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.57 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t30 61.59 60.85 1.57 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.759 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -65.24 153.68 89.0 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.548 -179.541 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 58.4 Cg_endo -75.52 61.58 6.09 Favored 'Trans proline' 0 C--N 1.31 -1.494 0 C-N-CA 122.695 2.263 . . . . 0.0 112.278 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.1 p -91.41 -12.59 34.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.592 179.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 139.91 121.5 1.85 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.599 -1.0 . . . . 0.0 110.599 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 92.5 t80 -71.11 128.82 37.24 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.841 0.353 . . . . 0.0 110.544 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 87.05 -8.43 76.5 Favored Glycine 0 CA--C 1.528 0.859 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 75.6 m -116.47 -21.38 9.24 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-O 120.762 0.315 . . . . 0.0 110.377 179.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 86.6 p -62.02 -36.69 82.31 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-O 120.813 0.34 . . . . 0.0 110.43 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 89.3 p -64.36 -36.93 85.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.719 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 61.5 ttp180 -62.77 -44.72 95.44 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.559 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 77.1 mtp85 -63.85 -40.56 96.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.647 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.504 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -156.51 160.61 30.62 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.637 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . 0.504 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 57.0 Cg_endo -75.31 71.34 5.23 Favored 'Trans proline' 0 C--N 1.307 -1.65 0 C-N-CA 122.777 2.318 . . . . 0.0 112.067 179.743 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.1 mt-30 -95.73 11.42 33.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.8 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 61.9 p -76.52 165.72 24.4 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.505 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 114.67 -81.36 0.3 Allowed Glycine 0 CA--C 1.526 0.733 0 N-CA-C 110.747 -0.941 . . . . 0.0 110.747 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.42 HG23 ' CE1' ' X' ' 61' ' ' TYR . 81.1 mt -61.41 -47.1 95.0 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.266 0 CA-C-O 120.716 0.293 . . . . 0.0 110.704 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.92 -46.13 97.17 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.274 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.747 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.62 -39.04 93.36 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.988 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -62.33 -51.04 69.21 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.475 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.5 m -71.21 -40.45 71.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.264 0.554 . . . . 0.0 111.139 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.0 t -61.23 -48.66 80.48 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.995 -179.566 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.2 m-85 -86.92 -67.09 0.84 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.086 0.47 . . . . 0.0 110.453 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -80.63 165.51 21.96 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.749 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.5 m -94.01 85.14 4.64 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.341 -0.391 . . . . 0.0 110.165 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.8 p -68.35 148.11 51.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.568 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -68.67 141.42 55.34 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.955 -179.69 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.1 mt -63.81 -40.09 95.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.459 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 58.5 ttt85 -59.54 -47.32 86.0 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.46 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.6 ttp85 -62.55 -38.28 89.4 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-O 120.928 0.394 . . . . 0.0 110.111 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.413 HD12 ' CD1' ' X' ' 61' ' ' TYR . 14.8 tp -59.41 -35.43 73.96 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.579 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -54.42 -23.31 15.31 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.233 0.539 . . . . 0.0 110.634 -179.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 87.7 mmm -59.85 -36.69 77.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.504 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.42 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.2 m-85 -80.51 28.11 0.33 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.49 -179.432 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.3 m -100.01 145.61 27.7 Favored 'General case' 0 N--CA 1.45 -0.431 0 N-CA-C 110.031 -0.359 . . . . 0.0 110.031 179.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.405 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . -67.61 153.69 94.56 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.61 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 58.3 Cg_endo -74.61 159.0 43.25 Favored 'Trans proline' 0 C--N 1.305 -1.735 0 C-N-CA 123.014 2.476 . . . . 0.0 112.308 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 96.0 mt -72.15 145.21 48.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.41 179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -69.94 153.16 95.66 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.713 -179.585 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -70.92 154.41 63.14 Favored 'Trans proline' 0 C--N 1.309 -1.511 0 C-N-CA 122.732 2.288 . . . . 0.0 112.388 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.32 -38.31 86.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.42 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 24.1 ttmm -58.37 -46.36 86.47 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.482 -179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 46.6 t -62.52 -43.91 97.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.55 179.5 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.577 -179.887 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 109.446 -1.462 . . . . 0.0 109.446 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.38 72.64 0.96 Allowed Glycine 0 CA--C 1.527 0.823 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.24 150.38 87.13 Favored 'Trans proline' 0 C--N 1.309 -1.531 0 C-N-CA 123.132 2.554 . . . . 0.0 111.773 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -89.75 1.23 56.36 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.99 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 76.1 p -129.02 159.57 35.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.587 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.3 mt -117.73 102.88 9.48 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.525 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 83.0 m -137.14 160.22 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.679 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 74.44 -148.06 38.28 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 111.446 -0.662 . . . . 0.0 111.446 179.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.4 -34.92 74.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.681 0.277 . . . . 0.0 110.687 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 50.9 tp10 -56.4 -46.71 80.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.308 -179.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -64.01 -41.17 97.55 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.907 0.384 . . . . 0.0 110.36 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -59.73 -43.79 92.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.793 -179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -61.04 -41.72 97.11 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.383 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.55 94.21 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.741 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.454 HD21 HD11 ' X' ' 58' ' ' LEU . 76.6 mt -61.92 -43.29 99.16 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.525 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -65.68 -41.05 92.9 Favored 'General case' 0 C--O 1.221 -0.395 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.19 179.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 57.6 t80 -61.09 -49.98 75.13 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.673 179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.8 t -62.6 -48.37 88.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.032 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 90.8 m -67.43 -37.73 83.46 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.171 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.69 -129.57 42.11 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 110.598 -1.001 . . . . 0.0 110.598 -179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -58.91 -32.01 69.15 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.51 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.49 -39.48 91.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.676 -179.7 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.85 -171.66 44.71 Favored Glycine 0 CA--C 1.528 0.874 0 N-CA-C 110.88 -0.888 . . . . 0.0 110.88 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 42.2 p90 -153.55 161.69 41.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 0.0 110.31 179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -148.2 167.22 25.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.349 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -113.11 141.79 46.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.776 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -70.42 148.32 48.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.628 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 55.9 mtmt 49.62 61.95 12.88 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.687 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 36.8 Cg_endo -65.95 -23.66 54.12 Favored 'Trans proline' 0 C--N 1.306 -1.684 0 C-N-CA 122.637 2.225 . . . . 0.0 112.238 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -69.64 -28.87 66.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.811 -179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -115.9 3.44 21.05 Favored Glycine 0 CA--C 1.528 0.853 0 N-CA-C 111.153 -0.779 . . . . 0.0 111.153 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 81.3 t80 -64.28 131.33 47.01 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.761 0.315 . . . . 0.0 110.413 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.72 155.43 53.29 Favored Glycine 0 CA--C 1.522 0.508 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 94.9 p -106.97 -17.4 14.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.823 0.345 . . . . 0.0 110.779 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 59.3 p -64.72 -35.52 81.34 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-O 120.918 0.39 . . . . 0.0 110.573 -179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 50.1 m 53.0 26.66 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.495 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -139.44 147.46 41.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.758 179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 88.9 mtm180 54.16 39.88 31.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.622 179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.401 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -73.29 158.24 87.03 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.605 -179.815 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . 0.401 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 61.5 Cg_endo -76.64 57.8 5.69 Favored 'Trans proline' 0 C--N 1.31 -1.471 0 C-N-CA 122.562 2.175 . . . . 0.0 112.085 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 49.14 48.7 20.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.606 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 14.1 t -146.2 154.28 41.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.596 -179.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 93.3 151.08 27.59 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.693 -0.963 . . . . 0.0 110.693 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 39.3 pt -70.47 -32.03 48.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.737 0.303 . . . . 0.0 110.319 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.1 t -63.27 -48.24 88.39 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.251 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.236 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -63.93 -42.58 97.33 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.067 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.11 -50.8 71.75 Favored 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 120.446 -0.502 . . . . 0.0 111.565 -178.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.0 m -70.94 -40.54 71.98 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.53 -179.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.5 t -61.62 -47.26 86.25 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.87 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 54.9 m-85 -86.63 -69.22 0.69 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.579 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -79.77 163.44 24.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.503 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 30.1 t -89.4 113.5 24.83 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.609 -0.437 . . . . 0.0 110.121 179.83 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 19.7 p -107.47 135.88 48.2 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.292 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 31.6 t0 -76.45 151.48 36.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.772 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.1 mt -64.37 -36.48 84.27 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.694 179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -57.18 -49.04 77.2 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.745 -179.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 ptm180 -75.13 -23.07 57.79 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.756 -0.378 . . . . 0.0 110.484 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.454 HD11 HD21 ' X' ' 15' ' ' LEU . 15.7 tp -65.12 -38.98 92.38 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.892 0.377 . . . . 0.0 110.129 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.47 -21.09 63.87 Favored 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.033 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.4 mtp -64.13 -28.59 69.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.781 0.324 . . . . 0.0 110.334 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 9.3 m-85 -77.39 0.32 22.91 Favored 'General case' 0 CA--C 1.532 0.26 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.973 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -69.21 150.6 47.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.798 0.332 . . . . 0.0 110.149 179.299 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.518 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -71.47 164.9 53.79 Favored Pre-proline 0 N--CA 1.447 -0.576 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.479 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.518 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 48.6 Cg_exo -54.25 152.15 26.36 Favored 'Trans proline' 0 C--N 1.302 -1.872 0 C-N-CA 123.173 2.582 . . . . 0.0 111.779 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 89.1 mt -63.21 143.49 57.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.501 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -69.41 154.84 94.51 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.614 -179.279 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -72.06 157.51 54.19 Favored 'Trans proline' 0 N--CA 1.494 1.529 0 C-N-CA 122.613 2.208 . . . . 0.0 112.417 179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.99 -38.42 85.97 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.641 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -59.22 -46.63 87.95 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.749 -179.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 88.2 p -64.86 -37.25 87.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.617 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.538 -179.912 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.387 0 N-CA-C 109.426 -1.469 . . . . 0.0 109.426 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -60.56 -56.19 25.77 Favored Glycine 0 CA--C 1.531 1.09 0 N-CA-C 111.376 -0.69 . . . . 0.0 111.376 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -82.72 121.84 3.37 Favored 'Trans proline' 0 C--N 1.31 -1.463 0 C-N-CA 122.792 2.328 . . . . 0.0 112.086 178.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.18 -1.63 58.03 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.899 179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 60.9 p -79.33 163.15 25.11 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.518 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 79.3 mt -110.73 124.37 51.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.373 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 24.6 t -162.8 134.18 5.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.509 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 104.1 -146.81 16.38 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.903 -0.879 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.38 -37.8 84.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.62 0.248 . . . . 0.0 110.472 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -60.21 -43.94 95.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.657 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.459 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.6 tp -62.79 -47.29 84.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.968 0.413 . . . . 0.0 110.541 179.799 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.5 t -61.75 -43.98 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.13 0.49 . . . . 0.0 110.613 179.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.98 -39.42 92.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.371 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.86 -39.75 90.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.402 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 74.6 mt -62.13 -42.2 99.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.771 179.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 98.0 mt-30 -64.32 -40.34 95.71 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.089 0.471 . . . . 0.0 110.376 179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 51.3 t80 -67.04 -50.33 62.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.791 179.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 93.0 t -64.39 -49.81 79.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.186 -178.646 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.6 m -71.27 -41.97 69.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.032 0.444 . . . . 0.0 110.625 -179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.36 -130.34 43.76 Favored Glycine 0 CA--C 1.527 0.801 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -60.23 -29.23 68.62 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.683 0.278 . . . . 0.0 110.745 -179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 95.8 mtm-85 -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.527 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.88 -172.94 50.75 Favored Glycine 0 CA--C 1.528 0.886 0 N-CA-C 110.913 -0.875 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 51.4 p90 -155.35 164.66 38.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.787 0.327 . . . . 0.0 110.679 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -142.25 165.13 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.488 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -113.6 144.69 42.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.649 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -74.01 171.48 13.4 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.527 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -124.78 72.76 62.54 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.541 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -65.34 -19.26 61.78 Favored 'Trans proline' 0 C--N 1.307 -1.622 0 C-N-CA 123.088 2.525 . . . . 0.0 111.984 179.548 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 73.9 p -70.23 -14.51 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.576 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -123.14 -46.37 0.28 Allowed Glycine 0 CA--C 1.523 0.592 0 N-CA-C 110.698 -0.961 . . . . 0.0 110.698 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -152.11 161.19 43.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.71 0.291 . . . . 0.0 110.847 179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 89.75 -5.96 83.24 Favored Glycine 0 CA--C 1.527 0.842 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 94.6 p -103.53 -2.53 26.62 Favored 'General case' 0 N--CA 1.454 -0.234 0 O-C-N 122.752 -0.263 . . . . 0.0 110.481 179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 42.9 p -66.6 -20.0 65.9 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.619 0.247 . . . . 0.0 110.441 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 39.4 t -88.34 102.8 15.22 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 120.925 0.393 . . . . 0.0 110.479 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -66.61 -39.67 88.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.842 179.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -62.24 -27.01 68.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.649 -179.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -124.83 77.42 65.49 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.722 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -76.84 72.15 5.86 Favored 'Trans proline' 0 C--N 1.309 -1.526 0 C-N-CA 122.922 2.415 . . . . 0.0 111.766 179.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -79.6 73.92 6.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.617 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 96.7 m -60.15 -46.64 89.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.502 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 175.08 160.33 22.81 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.081 -0.808 . . . . 0.0 111.081 179.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 32.1 pt -70.51 -30.08 41.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-O 120.708 0.289 . . . . 0.0 110.502 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.459 ' HA ' HD21 ' X' ' 11' ' ' LEU . 54.1 t -63.64 -48.33 87.21 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.306 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.039 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.59 -39.47 93.8 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.884 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 89.1 tt0 -61.91 -51.42 68.22 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.678 -179.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.7 m -70.93 -40.58 72.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.216 0.531 . . . . 0.0 111.314 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -61.49 -47.47 85.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.938 -0.574 . . . . 0.0 110.94 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -86.3 -70.47 0.6 Allowed 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.009 0.433 . . . . 0.0 110.394 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 89.2 mtm180 -80.25 165.19 22.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.532 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.3 t -89.64 119.4 30.02 Favored 'General case' 0 C--N 1.326 -0.434 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.413 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 21.8 p -113.1 134.4 54.56 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.301 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -72.56 154.77 40.63 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 81.7 mt -62.5 -39.77 94.56 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.475 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.9 ttt180 -59.97 -46.45 89.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.51 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 59.1 ttt180 -64.04 -38.99 93.08 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-O 120.957 0.408 . . . . 0.0 110.25 179.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.461 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.1 tp -59.77 -35.94 75.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.872 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.23 -35.33 73.46 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.743 -179.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 74.2 mtm -60.75 -19.5 59.23 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.748 -0.381 . . . . 0.0 111.187 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.461 ' CD1' HD12 ' X' ' 58' ' ' LEU . 18.2 m-30 -75.51 -11.59 60.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.536 -0.302 . . . . 0.0 110.617 179.569 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 83.3 m -67.74 147.26 52.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.899 0.38 . . . . 0.0 110.353 179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.06 156.34 91.75 Favored Pre-proline 0 N--CA 1.45 -0.468 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.388 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -75.04 153.66 41.73 Favored 'Trans proline' 0 C--N 1.305 -1.758 0 C-N-CA 122.817 2.345 . . . . 0.0 112.382 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -115.43 29.89 7.71 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.302 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -71.59 158.77 87.22 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.859 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 48.4 Cg_exo -56.14 141.73 87.24 Favored 'Trans proline' 0 N--CA 1.496 1.676 0 C-N-CA 122.615 2.21 . . . . 0.0 111.926 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.15 142.71 58.32 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.668 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -61.44 -43.6 98.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.521 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 89.2 p -152.76 162.42 41.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.512 -179.692 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.634 -179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.404 0 N-CA-C 109.528 -1.429 . . . . 0.0 109.528 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -179.72 -178.34 48.39 Favored Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 69.5 Cg_endo -79.93 171.51 15.27 Favored 'Trans proline' 0 C--N 1.306 -1.706 0 C-N-CA 123.188 2.592 . . . . 0.0 111.746 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 75.7 mm-40 59.7 44.89 13.61 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.463 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -129.33 162.29 28.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.717 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 70.8 mt -99.58 97.4 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.434 -179.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.5 m -131.17 151.15 51.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.652 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.8 -125.87 40.3 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 111.187 -0.765 . . . . 0.0 111.187 179.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.21 -36.36 77.5 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.6 0.238 . . . . 0.0 110.584 -179.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -59.96 -43.59 94.94 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.847 -0.341 . . . . 0.0 110.509 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 64.6 tp -66.12 -42.24 89.43 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.998 0.428 . . . . 0.0 110.583 179.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.2 t -59.81 -44.93 95.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.832 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.7 t0 -61.51 -45.76 92.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.419 -179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.92 98.76 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.634 -179.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.3 mt -63.63 -42.59 98.14 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.6 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -65.86 -40.7 91.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.281 179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -62.78 -50.87 69.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.646 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -65.83 -48.88 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.297 -178.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 74.1 m -67.54 -39.41 85.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.329 0.585 . . . . 0.0 110.191 -179.338 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.71 -131.93 49.29 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.857 -0.897 . . . . 0.0 110.857 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -58.25 -33.66 69.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.659 0.266 . . . . 0.0 110.401 -179.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.4 ' CD ' HD23 ' X' ' 65' ' ' LEU . 96.2 mtm-85 -62.17 -39.31 92.23 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.793 -0.363 . . . . 0.0 110.439 -179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 64.74 -167.36 29.81 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.791 -0.924 . . . . 0.0 110.791 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 43.7 p90 -155.79 160.0 39.9 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.87 0.367 . . . . 0.0 110.514 179.377 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.2 p90 -153.37 163.4 40.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.462 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -125.86 143.17 51.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.51 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 50.7 p30 -83.97 178.01 8.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.788 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 46.6 pttt -136.52 70.38 60.06 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.944 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -68.74 -23.59 35.71 Favored 'Trans proline' 0 C--N 1.302 -1.891 0 C-N-CA 122.861 2.374 . . . . 0.0 112.069 -179.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 81.6 p -129.03 158.11 39.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.58 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -113.13 6.54 25.25 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 73.7 m-85 -65.34 -36.88 85.39 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-O 120.986 0.422 . . . . 0.0 110.655 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 91.4 -8.95 78.48 Favored Glycine 0 CA--C 1.528 0.879 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 23.1 p -159.83 -80.16 0.05 Allowed 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.727 0.299 . . . . 0.0 110.495 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 19.4 t 48.24 32.96 3.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.452 179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 88.7 p -63.33 -35.04 79.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.724 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.06 -45.46 94.66 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.728 -0.669 . . . . 0.0 110.461 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 77.0 ttt-85 -63.07 -44.42 95.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.711 179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.51 77.26 77.54 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.542 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.2 Cg_endo -74.71 63.43 5.72 Favored 'Trans proline' 0 C--N 1.308 -1.576 0 C-N-CA 122.913 2.409 . . . . 0.0 112.258 -179.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.7 mm-40 -105.34 15.99 26.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.828 179.475 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER 64.01 -160.91 0.29 Allowed 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.322 -179.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -156.59 168.2 33.72 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.441 -1.064 . . . . 0.0 110.441 -179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.561 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 84.3 mt -61.4 -46.37 96.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-O 120.75 0.31 . . . . 0.0 110.736 179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.7 t -62.43 -46.35 96.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.667 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -63.37 -37.8 88.66 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.763 179.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.81 67.69 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.226 -0.59 . . . . 0.0 111.25 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 92.2 m -71.86 -40.03 69.28 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 121.006 0.431 . . . . 0.0 110.94 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.0 t -60.83 -47.34 86.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.871 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 59.8 m-85 -88.22 -67.94 0.8 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.911 0.386 . . . . 0.0 110.54 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 95.4 mtm-85 -78.73 159.35 27.99 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.505 179.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 43.8 t -89.59 90.5 8.28 Favored 'General case' 0 C--N 1.328 -0.367 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -75.79 143.87 41.68 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.54 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 -64.5 136.95 57.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.026 0.441 . . . . 0.0 110.846 -179.717 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.9 mt -63.03 -40.86 99.01 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.502 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 56.9 ttp180 -61.57 -47.05 87.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.69 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.4 ttp85 -64.01 -22.47 66.94 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.199 179.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.497 HD12 ' HE1' ' X' ' 61' ' ' TYR . 6.4 tp -55.4 -24.78 31.97 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.529 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.4 p-10 -62.41 -13.34 28.57 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 85.3 mmm -62.92 -38.48 91.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.83 0.347 . . . . 0.0 110.497 179.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.561 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 2.9 m-85 -77.84 -18.84 55.84 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.604 -179.399 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 99.3 m -67.51 158.8 31.05 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.831 0.348 . . . . 0.0 110.233 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.514 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -66.8 163.42 43.23 Favored Pre-proline 0 N--CA 1.45 -0.448 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.441 -179.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.514 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 60.8 Cg_exo -50.23 140.33 33.78 Favored 'Trans proline' 0 C--N 1.302 -1.879 0 C-N-CA 122.85 2.367 . . . . 0.0 111.719 -179.702 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . 0.4 HD23 ' CD ' ' X' ' 22' ' ' ARG . 68.4 mt -71.58 143.9 49.7 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.46 -179.304 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 87.8 mttt -128.36 75.8 78.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.601 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -58.0 143.52 96.1 Favored 'Trans proline' 0 C--N 1.307 -1.653 0 C-N-CA 122.866 2.377 . . . . 0.0 111.853 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.88 142.47 57.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.783 -179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.0 mtpt -62.18 -39.05 91.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.381 179.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 98.9 p -63.01 -23.59 67.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.564 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.57 -179.992 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.25 0 N-CA-C 109.563 -1.415 . . . . 0.0 109.563 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 177.61 176.31 45.54 Favored Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -59.99 -20.47 60.57 Favored 'Trans proline' 0 C--N 1.303 -1.864 0 C-N-CA 123.0 2.466 . . . . 0.0 112.583 179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 -91.14 0.13 57.59 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.428 -0.805 . . . . 0.0 111.111 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 80.6 p -130.27 159.31 37.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.449 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . 0.402 HD13 ' CB ' ' X' ' 14' ' ' ALA . 78.3 mt -112.82 117.36 31.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.299 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 4.9 t -150.26 150.77 31.98 Favored 'General case' 0 C--O 1.236 0.376 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.557 -179.677 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.71 -127.88 44.12 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.195 -0.762 . . . . 0.0 111.195 179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.41 -36.32 77.86 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.65 0.262 . . . . 0.0 110.676 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -61.49 -40.96 96.46 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.695 -0.402 . . . . 0.0 110.56 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 tp -62.45 -49.16 76.54 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.706 179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 37.8 t -61.95 -45.59 98.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -61.71 -42.81 99.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.763 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . 0.402 ' CB ' HD13 ' X' ' 6' ' ' LEU . . . -63.02 -41.22 99.5 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.797 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.487 HD13 ' CE1' ' X' ' 24' ' ' PHE . 70.6 mt -61.74 -42.92 99.6 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.401 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.3 mt-30 -66.52 -39.98 88.92 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.193 0.521 . . . . 0.0 110.384 179.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -60.29 -48.93 79.64 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.263 179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -69.93 -47.65 68.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.928 -178.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -128.38 72.03 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.753 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -72.05 -72.41 0.94 Allowed Glycine 0 CA--C 1.524 0.649 0 N-CA-C 111.107 -0.797 . . . . 0.0 111.107 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -63.05 -40.42 97.65 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.818 0.342 . . . . 0.0 110.68 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 94.7 mtm-85 -63.59 -40.28 96.54 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.667 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 85.12 174.73 50.38 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.861 -0.896 . . . . 0.0 110.861 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . 0.487 ' CE1' HD13 ' X' ' 15' ' ' LEU . 48.1 p90 -154.14 159.86 41.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.357 . . . . 0.0 110.733 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.8 p90 -151.3 162.42 40.93 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.478 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -127.66 146.81 50.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.809 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 32.7 m120 -86.14 160.01 19.36 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.539 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 62.3 mttp -62.37 153.6 75.45 Favored Pre-proline 0 C--N 1.331 -0.232 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.407 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 57.7 Cg_endo -74.77 62.14 5.59 Favored 'Trans proline' 0 C--N 1.312 -1.38 0 C-N-CA 122.785 2.324 . . . . 0.0 112.278 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 79.8 p -99.23 -10.24 22.66 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.66 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -178.76 -172.17 42.81 Favored Glycine 0 C--N 1.337 0.589 0 N-CA-C 110.15 -1.18 . . . . 0.0 110.15 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -123.02 128.78 50.64 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.549 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.17 -127.51 44.06 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 91.5 p -103.55 12.51 34.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.688 0.28 . . . . 0.0 110.654 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 16.0 t -131.41 113.82 14.2 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-O 120.995 0.426 . . . . 0.0 110.433 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 57.9 m -100.88 11.11 40.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.638 179.741 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 90.9 mtm180 -62.19 -39.89 94.22 Favored 'General case' 0 N--CA 1.455 -0.21 0 CA-C-O 120.766 0.317 . . . . 0.0 110.665 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 90.2 mtm180 -133.86 139.45 46.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.604 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.65 72.21 77.86 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.431 179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -74.4 61.26 5.11 Favored 'Trans proline' 0 C--N 1.305 -1.734 0 C-N-CA 122.776 2.317 . . . . 0.0 112.415 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.2 mm-40 49.27 55.71 8.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.723 179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 11.3 t -136.59 151.34 49.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.392 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.39 179.35 45.78 Favored Glycine 0 CA--C 1.526 0.767 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.419 HG23 ' CE1' ' X' ' 61' ' ' TYR . 87.5 mt -61.28 -46.65 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.769 0.319 . . . . 0.0 110.777 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 52.8 t -61.17 -45.12 99.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.697 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -63.11 -40.25 97.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.733 -179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.5 tp10 -61.39 -51.61 68.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.267 -0.573 . . . . 0.0 111.474 -178.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.4 m -70.97 -40.25 72.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.899 0.381 . . . . 0.0 111.124 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 47.4 t -61.82 -47.93 82.87 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.112 -179.196 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 51.8 m-85 -85.62 -71.08 0.55 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.473 -179.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 91.1 mtm-85 -80.19 165.77 22.09 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.669 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 75.0 m -92.01 91.11 7.69 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.394 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.5 p -72.67 146.86 46.24 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.573 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -71.08 145.74 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.4 mt -63.54 -39.16 93.69 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.397 179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.8 ttp180 -59.87 -45.48 92.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.492 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -62.71 -39.29 93.55 Favored 'General case' 0 N--CA 1.446 -0.66 0 CA-C-O 120.925 0.393 . . . . 0.0 110.262 179.234 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.29 -36.83 76.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.507 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 49.3 t0 -56.33 -20.98 21.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.622 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 88.9 mmm -61.33 -36.51 80.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.857 0.36 . . . . 0.0 110.63 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.419 ' CE1' HG23 ' X' ' 44' ' ' ILE . 2.7 m-85 -80.73 24.72 0.47 Allowed 'General case' 0 CA--C 1.535 0.404 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.488 -179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 88.5 m -97.04 156.36 16.4 Favored 'General case' 0 N--CA 1.454 -0.249 0 CA-C-O 120.888 0.375 . . . . 0.0 110.016 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -64.73 155.13 83.4 Favored Pre-proline 0 N--CA 1.45 -0.453 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.587 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_endo -73.69 158.34 47.2 Favored 'Trans proline' 0 C--N 1.306 -1.677 0 C-N-CA 123.011 2.474 . . . . 0.0 112.283 -179.616 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 85.1 mt -109.96 144.1 38.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.553 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -69.98 153.64 95.25 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.566 -179.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 42.3 Cg_endo -68.28 152.35 75.83 Favored 'Trans proline' 0 C--N 1.309 -1.524 0 C-N-CA 122.697 2.264 . . . . 0.0 112.286 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -63.32 142.39 58.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.556 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -62.26 -39.39 92.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.558 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m 55.66 40.08 30.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.485 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.604 179.992 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 2.492 0 N-CA-C 109.308 -1.517 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -58.84 -60.41 8.96 Favored Glycine 0 CA--C 1.526 0.769 0 N-CA-C 111.286 -0.725 . . . . 0.0 111.286 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 60.0 Cg_endo -78.61 69.51 7.71 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.572 2.181 . . . . 0.0 112.507 179.068 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 25.1 pt-20 -67.31 -10.88 55.25 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.287 179.495 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 69.5 p -75.54 162.87 27.92 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.514 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.6 mt -109.8 122.46 47.55 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.493 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 21.3 t -164.02 147.64 9.8 Favored 'General case' 0 C--O 1.236 0.358 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.707 -179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.79 -127.94 46.47 Favored Glycine 0 CA--C 1.522 0.474 0 N-CA-C 111.059 -0.817 . . . . 0.0 111.059 179.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.61 -37.69 82.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.608 0.242 . . . . 0.0 110.675 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -62.09 -41.84 98.6 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.389 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -63.82 -43.77 95.22 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.809 179.176 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 35.0 t -59.28 -46.09 92.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.857 -179.582 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.68 -45.3 93.44 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.694 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.02 -41.08 97.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.639 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 77.7 mt -63.01 -40.35 97.5 Favored 'General case' 0 C--O 1.225 -0.226 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.458 179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.2 tp60 -63.16 -45.59 91.16 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 120.5 -0.48 . . . . 0.0 110.354 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.6 t80 -62.12 -50.64 71.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.606 179.271 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.6 t -64.0 -42.03 94.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.566 -179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 61.9 m -99.3 28.89 4.23 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.221 -179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.47 139.95 41.07 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.875 -0.89 . . . . 0.0 110.875 -178.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 65.3 7.54 4.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.654 -0.273 . . . . 0.0 111.221 -179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.498 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 92.7 mtm-85 -127.15 -33.49 2.4 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-O 120.932 0.396 . . . . 0.0 110.921 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.7 175.74 44.23 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 110.758 -0.937 . . . . 0.0 110.758 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 41.5 p90 -153.12 158.49 41.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.736 0.303 . . . . 0.0 110.359 179.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 47.0 p90 -155.49 168.1 28.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.501 -179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 91.5 m-85 -115.32 135.37 54.21 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.501 179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -111.02 112.23 23.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -128.97 73.2 81.83 Favored Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.277 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.45 -36.16 93.54 Favored 'Trans proline' 0 N--CA 1.499 1.795 0 C-N-CA 122.829 2.353 . . . . 0.0 112.204 -179.613 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 67.9 p -75.6 165.87 24.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.502 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 122.2 21.91 2.72 Favored Glycine 0 CA--C 1.526 0.736 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -63.35 -38.68 92.1 Favored 'General case' 0 N--CA 1.451 -0.39 0 CA-C-O 120.909 0.385 . . . . 0.0 110.716 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -163.77 176.22 39.86 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.906 -0.878 . . . . 0.0 110.906 -179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 86.9 p -107.25 1.27 23.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.56 0.219 . . . . 0.0 111.028 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 54.5 p -63.4 -24.57 67.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.879 0.371 . . . . 0.0 110.765 -179.777 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 42.6 t -64.14 140.98 58.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.392 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 24.4 mmm180 -62.22 -39.44 92.79 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.335 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 40.8 ptt180 -153.71 159.1 41.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.524 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -156.93 162.0 28.46 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.684 -179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 56.7 Cg_endo -73.97 79.98 2.21 Favored 'Trans proline' 0 C--N 1.308 -1.558 0 C-N-CA 122.718 2.278 . . . . 0.0 112.206 179.839 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.2 mt-30 -89.92 8.9 29.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.016 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 71.2 p -79.39 165.88 22.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.64 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -169.0 173.92 43.51 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.604 -0.999 . . . . 0.0 110.604 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 40.2 pt -67.73 -28.98 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.773 0.32 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.2 t -62.2 -49.01 85.77 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.271 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.72 -179.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.14 -40.14 94.02 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.002 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 -61.41 -50.91 70.95 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.197 -0.601 . . . . 0.0 111.136 -178.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.2 m -70.76 -40.55 72.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.802 0.334 . . . . 0.0 111.345 -179.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 46.9 t -62.23 -47.59 83.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.03 -179.07 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -86.19 -67.55 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.375 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -80.78 163.56 23.39 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.882 179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.81 86.8 6.03 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.505 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 23.6 p -73.1 159.11 34.07 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.527 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -92.97 148.42 22.01 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.189 0.519 . . . . 0.0 110.811 -179.79 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 93.8 mt -68.59 -31.32 70.43 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.456 179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -58.21 -48.95 78.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.517 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -74.1 -26.51 60.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.007 0.432 . . . . 0.0 110.771 179.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' X' ' 61' ' ' TYR . 13.3 tp -60.84 -37.09 80.88 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.157 -179.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -56.72 -26.15 56.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.978 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.7 mtm -63.45 -27.33 69.21 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.666 -179.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.458 ' CD1' HD12 ' X' ' 58' ' ' LEU . 7.0 m-85 -77.22 -3.37 39.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.795 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.2 m -69.33 145.3 53.11 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.871 -0.331 . . . . 0.0 110.142 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.539 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -75.4 165.22 55.43 Favored Pre-proline 0 N--CA 1.452 -0.362 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.438 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.539 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 50.7 Cg_exo -52.59 138.03 58.2 Favored 'Trans proline' 0 C--N 1.303 -1.854 0 C-N-CA 123.051 2.501 . . . . 0.0 111.691 179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -101.44 26.06 7.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.442 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 62.7 mtpt -71.71 158.4 87.9 Favored Pre-proline 0 C--N 1.328 -0.366 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.712 -179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -55.29 141.63 80.76 Favored 'Trans proline' 0 N--CA 1.498 1.772 0 C-N-CA 122.492 2.128 . . . . 0.0 112.092 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.37 -39.82 92.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.643 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.3 mtpt -125.97 144.48 50.68 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.546 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 47.9 t -61.62 -43.63 98.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.654 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.603 -179.889 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 109.672 -1.371 . . . . 0.0 109.672 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 84.4 -178.52 51.65 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 62.2 Cg_endo -81.37 170.12 15.01 Favored 'Trans proline' 0 C--N 1.305 -1.724 0 C-N-CA 123.225 2.617 . . . . 0.0 112.175 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 24.4 pt-20 -164.8 141.29 5.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.619 179.773 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 65.7 p -129.81 160.64 32.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.729 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.4 mt -111.16 126.5 54.92 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.359 179.7 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.6 t -164.05 138.92 5.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.63 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 92.34 -145.06 17.46 Favored Glycine 0 CA--C 1.523 0.565 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.55 -38.68 85.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.754 0.311 . . . . 0.0 110.535 -179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 52.7 tp10 -59.73 -43.18 94.3 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.338 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.43 -43.64 98.34 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.632 179.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 25.5 t -60.49 -44.16 95.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.748 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -59.76 -40.75 89.23 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.363 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -59.84 -40.88 90.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.64 -179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 75.5 mt -61.14 -44.24 97.63 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.692 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 54.9 tt0 -64.04 -41.88 97.26 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.885 0.374 . . . . 0.0 110.479 179.466 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 47.1 t80 -61.03 -50.32 73.83 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.909 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 71.7 t -63.52 -41.38 92.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.601 -179.478 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 82.3 m -86.1 5.98 31.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.697 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 48.86 -129.86 22.51 Favored Glycine 0 C--N 1.333 0.378 0 N-CA-C 111.401 -0.68 . . . . 0.0 111.401 179.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 56.9 p-10 -92.91 -3.9 53.75 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 121.126 -0.23 . . . . 0.0 111.003 179.268 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.6 mtm180 -65.62 -39.51 91.57 Favored 'General case' 0 N--CA 1.453 -0.276 0 CA-C-O 120.842 0.353 . . . . 0.0 110.502 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 92.75 -178.91 39.72 Favored Glycine 0 CA--C 1.528 0.852 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.3 p90 -147.76 166.64 26.92 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 120.918 0.389 . . . . 0.0 110.97 -179.425 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.8 p90 -131.57 167.1 19.98 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.62 -179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . 0.414 ' CE2' HD11 ' X' ' 44' ' ' ILE . 96.8 m-85 -113.35 -17.04 12.38 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.673 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -104.02 116.61 32.55 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.962 0.41 . . . . 0.0 110.567 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -75.52 158.78 82.94 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.839 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 50.2 Cg_exo -53.21 -36.41 77.49 Favored 'Trans proline' 0 C--N 1.308 -1.587 0 C-N-CA 122.8 2.334 . . . . 0.0 111.882 179.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 11.7 t -148.26 144.44 27.64 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.42 179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -116.19 15.23 15.75 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.177 -0.769 . . . . 0.0 111.177 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.0 t80 -60.64 -49.53 77.14 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-O 120.846 0.355 . . . . 0.0 110.691 -179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 57.18 -129.45 49.48 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.817 -0.913 . . . . 0.0 110.817 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 81.1 p -115.14 17.85 16.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.541 0.21 . . . . 0.0 110.538 179.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 41.2 t -153.24 136.9 16.03 Favored 'General case' 0 N--CA 1.449 -0.502 0 CA-C-O 121.004 0.431 . . . . 0.0 110.38 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 47.3 t -60.99 -42.66 98.85 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.852 179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 44.1 ttm180 -63.82 132.32 50.51 Favored 'General case' 0 C--N 1.319 -0.733 0 CA-C-N 115.793 -0.64 . . . . 0.0 110.55 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 83.2 mtt85 -119.12 137.29 53.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.464 -179.716 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -132.12 69.87 80.45 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.577 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 58.5 Cg_endo -78.55 59.3 7.13 Favored 'Trans proline' 0 C--N 1.306 -1.702 0 C-N-CA 122.797 2.331 . . . . 0.0 112.063 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.1 mt-30 -113.77 17.32 18.17 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.725 179.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 28.4 p -110.3 -78.77 0.59 Allowed 'General case' 0 N--CA 1.455 -0.176 0 CA-C-O 120.924 0.392 . . . . 0.0 110.584 -179.666 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 92.93 162.5 36.83 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.915 -0.874 . . . . 0.0 110.915 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.414 HD11 ' CE2' ' X' ' 26' ' ' PHE . 34.9 pt -65.63 -30.36 49.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.728 0.299 . . . . 0.0 110.485 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 56.0 t -62.18 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.98 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -64.75 -37.62 88.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.825 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -61.43 -51.06 70.29 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.223 -0.591 . . . . 0.0 111.018 -177.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.9 m -72.31 -41.02 67.06 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.037 0.446 . . . . 0.0 110.836 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.7 t -59.65 -49.17 78.78 Favored 'General case' 0 CA--C 1.521 -0.138 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.794 -178.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.7 m-85 -83.75 -71.32 0.51 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.014 0.435 . . . . 0.0 110.378 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 90.4 mtm180 -80.94 161.53 24.28 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.536 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -89.18 96.43 10.72 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 120.869 0.366 . . . . 0.0 110.496 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.6 144.23 35.69 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.551 179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 35.9 t0 -80.0 150.87 30.27 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.761 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 86.4 mt -64.15 -38.96 92.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.591 179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -58.75 -46.99 86.18 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.647 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 42.6 ttm180 -64.76 -39.13 93.11 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-O 120.727 0.298 . . . . 0.0 110.484 178.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 4.8 tp -59.11 -28.7 66.77 Favored 'General case' 0 C--O 1.221 -0.399 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.144 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -61.47 -33.77 74.32 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.959 0.409 . . . . 0.0 110.513 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 79.0 mtm -69.6 -13.85 62.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.989 -179.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 14.0 m-30 -76.04 -12.13 60.07 Favored 'General case' 0 CA--C 1.518 -0.284 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.686 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 69.9 m -69.43 152.11 45.3 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.35 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.426 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -71.07 156.9 91.36 Favored Pre-proline 0 N--CA 1.448 -0.542 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.604 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.426 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 58.1 Cg_endo -73.92 156.33 47.94 Favored 'Trans proline' 0 C--N 1.304 -1.802 0 C-N-CA 123.051 2.501 . . . . 0.0 112.237 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 80.3 mt -73.99 146.93 43.43 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.661 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -71.12 153.32 94.5 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.735 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 49.6 Cg_endo -69.7 148.18 64.89 Favored 'Trans proline' 0 C--N 1.308 -1.602 0 C-N-CA 122.667 2.245 . . . . 0.0 112.31 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.51 140.74 58.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.566 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 48.7 mmtm -75.39 144.64 42.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.507 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 73.9 m -61.57 -40.72 95.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.623 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.557 179.821 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -173.18 178.04 45.34 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 48.0 Cg_endo -69.3 -12.49 33.89 Favored 'Trans proline' 0 C--N 1.304 -1.808 0 C-N-CA 123.028 2.486 . . . . 0.0 112.561 179.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -74.13 -8.71 57.14 Favored 'General case' 0 C--N 1.317 -0.829 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.93 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.2 p -109.58 11.46 24.77 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.763 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.5 mt -137.52 32.26 2.54 Favored 'General case' 0 N--CA 1.455 -0.221 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.595 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 91.4 m -130.42 148.19 52.21 Favored 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.053 0.454 . . . . 0.0 110.721 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.81 -128.57 47.99 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 179.305 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.3 -35.84 76.5 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.693 0.282 . . . . 0.0 110.596 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.0 mm-40 -61.13 -40.76 95.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.401 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 63.7 tp -63.65 -43.63 96.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.014 0.435 . . . . 0.0 110.539 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.2 t -60.52 -43.41 94.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.799 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.4 t0 -60.12 -45.21 93.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.289 -179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.46 -40.09 95.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.58 179.527 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.577 HD21 HD11 ' X' ' 58' ' ' LEU . 74.1 mt -62.17 -43.42 98.86 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.643 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -66.52 -39.78 88.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.332 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.1 t80 -59.75 -49.12 78.97 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.05 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.88 -46.63 95.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.766 -178.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.5 m -124.58 66.32 1.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.793 -179.57 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.99 -44.64 95.65 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 111.25 -0.74 . . . . 0.0 111.25 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 63.7 t0 -83.3 -53.13 5.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.756 0.312 . . . . 0.0 110.866 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.43 ' HD3' HD21 ' X' ' 65' ' ' LEU . 90.6 mtm180 -62.68 -40.92 98.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.756 -179.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.51 -174.82 54.57 Favored Glycine 0 CA--C 1.525 0.714 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.3 p90 -152.64 159.56 43.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.726 0.298 . . . . 0.0 110.715 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 49.9 p90 -150.35 161.15 43.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.608 179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -118.09 120.45 37.79 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.389 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -111.48 24.6 12.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.582 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt 54.2 62.51 8.61 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.782 -179.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -71.46 -19.43 28.59 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.882 2.388 . . . . 0.0 112.097 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . 0.403 HG23 ' O ' ' X' ' 41' ' ' GLN . 97.0 m -60.64 131.89 52.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.47 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -144.46 99.5 0.22 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.783 -0.927 . . . . 0.0 110.783 -179.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 81.7 m-85 -59.01 -31.56 68.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.878 0.37 . . . . 0.0 110.515 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.25 -37.93 93.76 Favored Glycine 0 CA--C 1.527 0.783 0 N-CA-C 111.072 -0.811 . . . . 0.0 111.072 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 89.1 p -107.5 8.51 29.42 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.584 0.23 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 31.2 t -145.04 126.1 14.58 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 120.935 0.398 . . . . 0.0 110.399 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 66.3 m -71.58 138.76 49.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.513 179.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -61.23 -19.57 61.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.469 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -60.05 -42.98 95.65 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.415 179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.406 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -74.37 157.94 85.85 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.625 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . 0.406 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 58.6 Cg_endo -77.38 59.59 6.72 Favored 'Trans proline' 0 C--N 1.308 -1.579 0 C-N-CA 122.779 2.319 . . . . 0.0 112.226 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . 0.403 ' O ' HG23 ' X' ' 30' ' ' THR . 98.4 mm-40 -110.59 26.55 10.57 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.55 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 98.5 m -59.42 -46.1 89.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.655 -179.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -174.55 158.56 26.87 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.503 HD13 ' CD2' ' X' ' 61' ' ' TYR . 90.9 mt -62.23 -46.18 97.03 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.237 0 CA-C-O 120.837 0.351 . . . . 0.0 110.59 179.548 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 53.8 t -61.3 -46.38 96.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.775 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -64.15 -37.3 86.98 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.522 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -60.1 -52.67 64.36 Favored 'General case' 0 CA--C 1.517 -0.303 0 C-N-CA 120.34 -0.544 . . . . 0.0 111.086 -178.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 94.0 m -72.81 -40.07 66.14 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.972 0.415 . . . . 0.0 110.919 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.6 t -59.82 -46.45 89.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.743 -178.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -88.15 -67.18 0.85 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.452 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 59.2 ttt85 -81.24 149.58 28.96 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.404 179.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 31.2 t -81.51 89.13 6.15 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.436 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 25.3 p -75.15 143.34 43.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.478 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -67.47 150.66 48.59 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.832 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.3 mt -62.54 -38.12 88.77 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.331 179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 32.2 tpt180 -60.21 -45.85 91.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.424 179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.8 ttm-85 -62.86 -38.75 92.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-O 121.035 0.445 . . . . 0.0 110.302 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.577 HD11 HD21 ' X' ' 15' ' ' LEU . 18.3 tp -60.11 -37.54 80.31 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.91 0.386 . . . . 0.0 110.399 -179.368 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.78 -20.54 61.66 Favored 'General case' 0 C--O 1.222 -0.381 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.652 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -61.55 -30.64 70.78 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 120.703 0.287 . . . . 0.0 110.543 -179.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.503 ' CD2' HD13 ' X' ' 44' ' ' ILE . 16.0 m-85 -78.74 1.38 23.3 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.659 -179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 98.0 m -83.43 153.05 24.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.717 0.294 . . . . 0.0 110.529 179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.447 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -71.62 157.43 89.82 Favored Pre-proline 0 N--CA 1.452 -0.357 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.466 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.447 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 58.4 Cg_endo -73.75 156.86 48.53 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.862 2.375 . . . . 0.0 112.313 -179.469 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . 0.43 HD21 ' HD3' ' X' ' 22' ' ' ARG . 95.4 mt -68.71 143.93 54.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.593 179.854 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 51.7 tptt 49.55 63.62 9.94 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.684 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -73.29 162.92 39.25 Favored 'Trans proline' 0 C--N 1.306 -1.69 0 C-N-CA 122.887 2.392 . . . . 0.0 112.162 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.7 -37.06 80.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.532 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -61.08 -41.57 96.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.633 -179.285 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 72.1 m -64.76 -40.31 95.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.713 179.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.637 -179.845 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 2.377 0 N-CA-C 109.459 -1.456 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.37 178.69 46.94 Favored Glycine 0 CA--C 1.527 0.812 0 N-CA-C 110.923 -0.871 . . . . 0.0 110.923 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -79.01 173.84 12.96 Favored 'Trans proline' 0 C--N 1.306 -1.688 0 C-N-CA 123.115 2.543 . . . . 0.0 111.801 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 57.62 48.58 13.94 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.508 -179.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 60.0 p -128.15 162.99 25.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.614 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . 0.407 HD22 ' HB2' ' X' ' 14' ' ' ALA . 75.8 mt -106.42 123.23 47.76 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.393 -179.79 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 49.2 t -164.12 146.79 9.26 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.781 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 58.07 -127.32 44.81 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.24 -37.93 81.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 110.54 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 77.8 mm-40 -62.22 -40.61 96.7 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.589 -0.444 . . . . 0.0 110.215 -179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.437 HD23 HG22 ' X' ' 45' ' ' VAL . 65.5 tp -64.14 -43.47 95.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.475 179.52 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -59.45 -46.04 93.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.004 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 65.0 t0 -63.22 -42.96 99.34 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.408 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . 0.407 ' HB2' HD22 ' X' ' 6' ' ' LEU . . . -61.63 -39.87 92.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.82 -179.842 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -61.82 -43.52 98.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.636 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 65.0 tt0 -65.35 -42.51 92.78 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.455 179.619 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 54.6 t80 -62.49 -50.5 71.17 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.928 0.394 . . . . 0.0 111.782 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -63.38 -49.04 84.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.196 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.13 -178.178 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 99.1 m -69.36 -38.68 78.21 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.409 -179.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 63.55 -129.21 39.33 Favored Glycine 0 CA--C 1.522 0.486 0 N-CA-C 110.627 -0.989 . . . . 0.0 110.627 -179.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.02 -29.02 68.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.699 0.285 . . . . 0.0 110.621 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -61.89 -39.49 92.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.788 0.327 . . . . 0.0 110.62 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.23 -177.27 48.84 Favored Glycine 0 CA--C 1.527 0.785 0 N-CA-C 110.831 -0.908 . . . . 0.0 110.831 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 34.7 p90 -151.51 161.32 42.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.776 0.322 . . . . 0.0 110.516 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 50.2 p90 -149.92 162.32 40.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.466 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -116.26 -25.49 7.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.843 179.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -157.69 106.89 2.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.435 179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 59.4 mtmt -72.1 156.94 90.23 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.772 -179.799 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -54.16 -39.98 83.79 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.462 2.108 . . . . 0.0 112.077 179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 97.0 m -128.59 129.97 46.68 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.873 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 149.39 -19.06 1.17 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.63 -0.988 . . . . 0.0 110.63 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -78.04 123.95 27.45 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-O 120.944 0.402 . . . . 0.0 110.704 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 81.36 -1.75 84.35 Favored Glycine 0 CA--C 1.53 1.031 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 85.8 p -115.64 -19.36 10.59 Favored 'General case' 0 C--O 1.232 0.164 0 N-CA-C 110.361 -0.237 . . . . 0.0 110.361 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 30.8 t -93.76 98.17 10.92 Favored 'General case' 0 N--CA 1.455 -0.201 0 CA-C-O 120.953 0.406 . . . . 0.0 110.597 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 50.2 m 51.89 28.34 5.02 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.52 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 48.87 31.04 2.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.56 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -148.34 138.42 22.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.232 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -126.45 79.0 71.46 Favored Pre-proline 0 C--N 1.326 -0.437 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.513 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -76.35 57.81 5.52 Favored 'Trans proline' 0 N--CA 1.492 1.408 0 C-N-CA 122.76 2.307 . . . . 0.0 112.008 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 97.8 mt-30 -104.59 14.9 29.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.883 179.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 94.9 m -118.09 135.32 54.27 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.916 0.388 . . . . 0.0 110.54 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 109.63 -14.91 32.28 Favored Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.349 -0.701 . . . . 0.0 111.349 -179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.564 HG23 ' CZ ' ' X' ' 61' ' ' TYR . 92.2 mt -61.6 -48.05 90.55 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.368 0 CA-C-N 117.002 0.401 . . . . 0.0 110.429 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.437 HG22 HD23 ' X' ' 11' ' ' LEU . 51.7 t -64.01 -45.16 97.5 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.303 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.679 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -62.38 -38.65 90.43 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.881 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -60.85 -51.13 70.62 Favored 'General case' 0 C--N 1.331 -0.235 0 C-N-CA 120.112 -0.635 . . . . 0.0 110.908 -178.585 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.36 -40.48 70.62 Favored 'General case' 0 C--N 1.332 -0.182 0 C-N-CA 120.77 -0.372 . . . . 0.0 111.162 -179.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 52.0 t -61.58 -47.98 83.03 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.786 -178.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 58.0 m-85 -85.7 -69.71 0.64 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.989 0.423 . . . . 0.0 110.349 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.1 mtp180 -79.58 162.12 25.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.747 179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 47.4 t -90.81 95.69 10.26 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.678 -0.409 . . . . 0.0 110.449 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 31.5 p -81.13 138.25 35.91 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.369 179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -65.74 145.86 55.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.696 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.7 mt -63.49 -39.06 93.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.399 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 60.4 ttp180 -59.85 -46.28 89.77 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.517 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.6 ttp180 -62.63 -39.35 93.53 Favored 'General case' 0 N--CA 1.447 -0.615 0 CA-C-O 120.987 0.423 . . . . 0.0 110.157 179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.477 HD12 ' CD1' ' X' ' 61' ' ' TYR . 11.4 tp -60.66 -31.83 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.532 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 t0 -56.42 -30.26 62.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.619 -179.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 72.8 mtm -61.47 -20.62 63.36 Favored 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.7 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.564 ' CZ ' HG23 ' X' ' 44' ' ' ILE . 32.2 m-85 -76.32 -8.72 57.7 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.768 -0.373 . . . . 0.0 110.899 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 79.3 m -69.91 146.86 50.91 Favored 'General case' 0 N--CA 1.457 -0.111 0 CA-C-O 120.769 0.319 . . . . 0.0 110.361 -179.654 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.478 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -72.6 162.81 72.25 Favored Pre-proline 0 N--CA 1.447 -0.594 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.362 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.478 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 51.9 Cg_exo -51.99 141.81 45.69 Favored 'Trans proline' 0 C--N 1.302 -1.873 0 C-N-CA 122.999 2.466 . . . . 0.0 111.79 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . 0.454 HD23 ' HE3' ' X' ' 69' ' ' LYS . 9.2 mp -68.91 141.4 55.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.852 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -70.76 153.43 94.85 Favored Pre-proline 0 C--N 1.326 -0.435 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.809 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . 0.418 ' O ' ' HB3' ' X' ' 68' ' ' ALA . 55.2 Cg_endo -70.62 155.33 63.31 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.777 2.318 . . . . 0.0 112.347 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . 0.418 ' HB3' ' O ' ' X' ' 67' ' ' PRO . . . 65.21 68.21 0.5 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.53 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . 0.454 ' HE3' HD23 ' X' ' 65' ' ' LEU . 62.3 mttp -61.44 -39.1 89.59 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.557 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 97.0 p -62.35 -23.91 67.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.564 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.616 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.248 0 N-CA-C 109.452 -1.459 . . . . 0.0 109.452 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 64.4 60.34 7.2 Favored Glycine 0 CA--C 1.528 0.903 0 N-CA-C 111.298 -0.721 . . . . 0.0 111.298 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -70.01 -12.11 31.78 Favored 'Trans proline' 0 C--N 1.304 -1.78 0 C-N-CA 122.791 2.327 . . . . 0.0 112.527 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -90.48 -2.52 57.93 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.313 179.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 96.8 m -115.57 126.39 54.16 Favored 'General case' 0 N--CA 1.451 -0.38 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.492 179.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 68.9 mt -118.53 105.62 11.84 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.27 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 84.2 m -132.02 156.57 46.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.619 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.57 -124.31 35.97 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.965 -0.854 . . . . 0.0 110.965 179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.78 -37.46 81.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.536 0.208 . . . . 0.0 110.753 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.66 -43.44 93.93 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.795 -0.362 . . . . 0.0 110.667 -179.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 59.4 tp -64.01 -47.45 80.23 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.892 179.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 32.3 t -60.42 -45.77 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.928 -179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.03 -42.02 98.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.495 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.94 -40.85 98.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.736 179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 72.5 mt -61.62 -43.04 99.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.515 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.6 tt0 -65.41 -40.75 93.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.224 179.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -59.74 -48.61 81.0 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.103 179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 98.2 t -64.38 -45.67 95.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.576 -178.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 83.8 m -126.36 69.27 1.22 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.698 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.74 -68.53 1.63 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.168 -0.773 . . . . 0.0 111.168 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.3 t0 -63.56 -46.29 86.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.844 0.354 . . . . 0.0 110.508 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.511 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 83.9 mtp180 -63.61 -39.92 95.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.677 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 82.35 174.74 50.15 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.803 -0.919 . . . . 0.0 110.803 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -147.21 158.42 43.94 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.852 0.358 . . . . 0.0 110.604 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 44.1 p90 -154.47 163.72 39.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.56 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -110.67 -27.38 8.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.723 179.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 54.0 t30 -173.19 -70.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.549 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -142.78 72.08 19.59 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.596 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 51.4 Cg_exo -53.94 -36.65 84.36 Favored 'Trans proline' 0 C--N 1.302 -1.888 0 C-N-CA 122.717 2.278 . . . . 0.0 111.96 -179.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 95.4 m -120.24 128.49 53.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.645 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 143.67 126.94 2.03 Favored Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.835 -0.906 . . . . 0.0 110.835 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 91.8 t80 -65.67 133.5 51.25 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.674 0.273 . . . . 0.0 110.403 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -166.63 175.74 41.91 Favored Glycine 0 CA--C 1.523 0.556 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 67.7 m -104.18 3.49 32.97 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 121.184 -0.206 . . . . 0.0 110.614 179.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 47.6 p -66.55 -12.53 58.13 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-O 120.675 0.274 . . . . 0.0 110.653 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 96.6 p -59.08 -28.05 66.12 Favored 'General case' 0 N--CA 1.453 -0.312 0 CA-C-O 120.794 0.33 . . . . 0.0 110.371 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 38.8 ptt180 -69.55 -33.31 72.59 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.13 179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 59.9 ttp180 -68.32 -41.95 80.11 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.525 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . 50.54 63.94 9.12 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.595 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -71.68 68.85 2.89 Favored 'Trans proline' 0 C--N 1.307 -1.617 0 C-N-CA 122.819 2.346 . . . . 0.0 112.257 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -91.82 31.75 1.19 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.591 179.855 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 63.8 p -127.27 161.94 27.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.549 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 107.58 -105.89 2.33 Favored Glycine 0 CA--C 1.527 0.838 0 N-CA-C 110.924 -0.87 . . . . 0.0 110.924 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 87.9 mt -61.49 -44.96 99.48 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 CA-C-O 120.767 0.318 . . . . 0.0 110.607 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 49.9 t -61.2 -45.96 97.56 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.241 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.798 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.64 -39.32 93.5 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.097 -179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.1 tp10 -59.88 -51.51 69.39 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.117 -0.633 . . . . 0.0 110.919 -178.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 89.9 m -71.84 -40.77 68.84 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-O 121.076 0.465 . . . . 0.0 110.861 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.8 t -60.33 -47.53 85.65 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.854 -179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -84.76 -72.65 0.46 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.38 -179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 79.3 mtm180 -81.13 163.2 23.3 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 29.9 t -88.85 94.17 9.83 Favored 'General case' 0 C--N 1.326 -0.432 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.327 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.9 p -76.37 147.27 38.18 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.525 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -66.96 140.47 57.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.713 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.3 mt -64.01 -40.02 95.41 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.563 179.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.6 ttm180 -59.68 -49.08 79.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.507 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 63.2 ttp85 -61.31 -36.71 80.87 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-O 121.06 0.457 . . . . 0.0 110.018 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 18.5 tp -58.98 -35.46 73.25 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.365 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 51.4 t0 -58.34 -17.95 23.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.654 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 89.0 mmm -60.12 -37.06 78.89 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.414 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -81.27 28.18 0.39 Allowed 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.311 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 84.1 m -106.56 147.31 29.59 Favored 'General case' 0 N--CA 1.453 -0.322 0 CA-C-O 120.74 0.305 . . . . 0.0 110.28 179.333 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.511 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . -64.0 149.56 93.41 Favored Pre-proline 0 N--CA 1.45 -0.469 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.425 -179.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -72.53 155.88 54.53 Favored 'Trans proline' 0 C--N 1.308 -1.599 0 C-N-CA 122.918 2.412 . . . . 0.0 112.38 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 88.3 mt -77.49 144.9 37.36 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -71.36 158.5 87.87 Favored Pre-proline 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.645 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_exo -56.16 142.02 87.11 Favored 'Trans proline' 0 N--CA 1.496 1.653 0 C-N-CA 122.593 2.195 . . . . 0.0 112.042 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -149.89 151.93 34.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.548 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -152.61 158.7 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.656 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 47.9 t -149.34 145.48 27.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.622 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.545 -179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.349 0 N-CA-C 109.578 -1.409 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 81.24 -171.15 53.19 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 21.5 Cg_exo -64.43 162.96 28.51 Favored 'Trans proline' 0 C--N 1.304 -1.814 0 C-N-CA 123.188 2.592 . . . . 0.0 111.901 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 61.82 47.17 6.3 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.061 0.457 . . . . 0.0 110.413 179.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 70.9 p -130.68 158.52 39.83 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 77.6 mt 48.65 67.24 0.89 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.195 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 1.7 t -129.25 84.71 2.24 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.111 0.481 . . . . 0.0 110.554 -179.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 144.99 -139.81 8.68 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.939 -0.864 . . . . 0.0 110.939 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.26 -35.58 75.84 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.579 0.228 . . . . 0.0 110.496 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -59.78 -42.21 92.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.539 -179.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 67.5 tp -63.15 -47.94 80.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.881 0.372 . . . . 0.0 110.619 179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -60.27 -45.66 95.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.204 0 CA-C-O 121.151 0.501 . . . . 0.0 110.591 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -62.81 -39.33 93.95 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.402 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.64 -40.48 95.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.468 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 54.4 mt -61.7 -43.33 99.06 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.547 179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -66.74 -41.22 88.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.338 179.363 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -60.3 -49.35 77.94 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.957 179.594 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 78.2 t -62.85 -45.91 97.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.836 -178.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 81.7 m -121.32 62.68 0.9 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.788 -179.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.07 -43.71 95.31 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 120.943 -0.646 . . . . 0.0 111.516 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -80.13 -51.69 8.69 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.742 0.306 . . . . 0.0 110.984 -179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 89.1 mtm180 -64.54 -39.92 94.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.95 -176.42 53.93 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 110.638 -0.985 . . . . 0.0 110.638 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -152.1 159.22 43.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.863 0.363 . . . . 0.0 110.567 179.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 20.6 p90 -100.58 -9.94 21.49 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.652 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 88.5 t80 62.19 -86.72 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.112 0 O-C-N 123.233 0.333 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 51.5 p-10 -119.01 14.69 13.24 Favored 'General case' 0 N--CA 1.444 -0.726 0 CA-C-N 116.588 -0.278 . . . . 0.0 110.519 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt 48.74 72.69 1.18 Allowed Pre-proline 0 N--CA 1.455 -0.179 0 CA-C-O 120.853 0.359 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.9 Cg_endo -65.24 -17.72 59.1 Favored 'Trans proline' 0 C--N 1.304 -1.801 0 C-N-CA 122.861 2.374 . . . . 0.0 112.177 -179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 69.1 p -108.65 20.65 18.28 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.464 179.777 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -105.33 15.33 46.74 Favored Glycine 0 C--N 1.334 0.439 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -63.13 -39.87 95.95 Favored 'General case' 0 N--CA 1.45 -0.425 0 CA-C-O 121.102 0.477 . . . . 0.0 110.945 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.85 -37.34 94.72 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.155 -0.778 . . . . 0.0 111.155 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 67.4 m -95.01 -1.35 52.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.594 0.235 . . . . 0.0 110.94 -179.629 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 25.2 p -65.0 -21.59 66.87 Favored 'General case' 0 N--CA 1.45 -0.466 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.657 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 1.7 p 63.51 -165.92 0.23 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.431 -0.35 . . . . 0.0 110.55 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.91 -38.6 91.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.619 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -135.67 159.35 41.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.626 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -128.24 83.03 67.29 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.663 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 45.3 Cg_endo -70.68 74.15 1.73 Allowed 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 122.88 2.386 . . . . 0.0 112.031 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 -143.92 108.16 4.78 Favored 'General case' 0 N--CA 1.448 -0.529 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.242 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 13.7 t -47.96 167.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.443 179.62 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -89.59 118.2 5.17 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -179.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.437 HG23 ' N ' ' X' ' 45' ' ' VAL . 8.7 tt -57.36 -40.15 72.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.747 0.308 . . . . 0.0 110.459 179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.437 ' N ' HG23 ' X' ' 44' ' ' ILE . 55.6 t -63.29 -45.32 98.57 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.323 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.937 -179.768 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -63.19 -38.71 92.26 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.778 -179.501 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -62.83 -51.28 67.65 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.293 -0.563 . . . . 0.0 111.384 -178.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 85.3 m -71.4 -40.73 70.32 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.983 0.42 . . . . 0.0 111.05 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 48.9 t -61.24 -50.42 73.14 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.79 -179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 62.7 m-85 -83.33 -67.48 0.79 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.524 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -81.21 162.65 23.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.496 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.5 m -91.61 83.72 5.39 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.834 0.35 . . . . 0.0 110.413 179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 29.0 p -67.77 134.01 50.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.556 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -72.67 151.17 42.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.756 179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 84.6 mt -62.0 -40.4 95.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.453 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -60.5 -48.01 83.62 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.661 179.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 53.7 ttp180 -63.24 -36.61 84.23 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 179.56 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 15.9 tp -59.66 -36.94 77.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.533 -179.026 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.3 t0 -58.73 -17.59 24.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.835 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.3 mtp -64.84 -35.8 82.28 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.856 0.36 . . . . 0.0 111.008 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.415 ' CG ' HD12 ' X' ' 44' ' ' ILE . 19.1 m-85 -75.02 -8.49 56.68 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.996 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 93.3 m -70.8 152.48 43.71 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 110.612 179.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.47 150.37 96.01 Favored Pre-proline 0 N--CA 1.447 -0.583 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.482 -179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 56.2 Cg_endo -72.94 160.48 45.84 Favored 'Trans proline' 0 C--N 1.306 -1.683 0 C-N-CA 123.074 2.516 . . . . 0.0 112.176 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 84.5 mt -68.28 145.75 53.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.409 -179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 65.2 pttt -71.4 160.77 81.56 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.707 -179.476 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 32.0 Cg_exo -58.24 142.11 97.14 Favored 'Trans proline' 0 N--CA 1.496 1.654 0 C-N-CA 122.686 2.258 . . . . 0.0 112.103 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -147.55 155.41 41.82 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.568 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt 55.82 38.9 30.6 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.395 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 68.5 m -121.36 146.99 46.3 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.701 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.597 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.302 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 129.77 -65.8 0.58 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -76.17 63.39 6.95 Favored 'Trans proline' 0 C--N 1.306 -1.691 0 C-N-CA 122.8 2.333 . . . . 0.0 112.045 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -129.71 118.08 21.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.402 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 11.5 t -149.7 153.42 36.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.598 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 67.8 mt 59.33 47.55 11.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.544 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 64.3 m -120.0 146.62 45.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.481 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 60.42 -123.18 32.17 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 179.453 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.64 -36.81 77.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.685 0.279 . . . . 0.0 110.47 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -60.43 -40.86 92.57 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.319 -179.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 66.6 tp -62.61 -48.16 80.62 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.415 179.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 41.5 t -61.78 -46.44 96.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.071 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.71 -42.44 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.828 -179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.56 -42.67 98.34 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.823 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -63.01 -42.69 99.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.424 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.5 tt0 -65.44 -40.74 93.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.497 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 44.3 t80 -59.44 -49.67 76.91 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.132 179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 72.7 t -63.55 -43.46 98.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.494 -179.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 70.7 m -121.06 64.36 0.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.94 -179.623 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.54 -40.76 99.53 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 111.114 -0.795 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -91.48 -47.38 7.46 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.999 -0.28 . . . . 0.0 111.147 -179.29 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 96.0 mtm-85 -64.33 -41.19 96.92 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.666 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 76.01 175.28 38.73 Favored Glycine 0 CA--C 1.527 0.81 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 33.0 p90 -149.31 159.42 44.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.809 0.338 . . . . 0.0 110.467 179.601 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -131.44 -32.42 1.53 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.847 -179.853 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 81.9 t80 60.98 156.46 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.555 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 64.8 t30 -86.74 97.82 10.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.872 0.368 . . . . 0.0 110.173 -179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -71.95 154.03 92.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_endo -65.5 -24.4 56.51 Favored 'Trans proline' 0 N--CA 1.494 1.501 0 C-N-CA 122.563 2.176 . . . . 0.0 112.237 179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 61.1 p -132.92 161.55 33.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.61 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -150.13 107.55 0.35 Allowed Glycine 0 CA--C 1.522 0.511 0 N-CA-C 110.623 -0.991 . . . . 0.0 110.623 179.694 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.9 m-85 -71.87 -27.88 63.16 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.779 0.323 . . . . 0.0 110.66 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.84 -41.22 97.58 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 -179.33 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 42.4 t -173.33 59.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.858 0.361 . . . . 0.0 110.571 179.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 9.1 t -171.28 78.88 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.542 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 68.7 p -70.02 -19.05 63.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.87 179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 56.3 mmm-85 -70.38 150.03 46.7 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -110.44 135.92 50.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.503 -179.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -131.92 71.97 79.89 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.624 179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -74.01 69.2 4.75 Favored 'Trans proline' 0 C--N 1.305 -1.714 0 C-N-CA 122.803 2.336 . . . . 0.0 112.135 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.4 mt-30 -127.14 93.86 3.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.479 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 58.6 p -73.91 163.66 27.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.569 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . 177.34 -66.48 0.08 OUTLIER Glycine 0 CA--C 1.524 0.644 0 N-CA-C 111.12 -0.792 . . . . 0.0 111.12 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 83.2 mt -60.56 -47.37 93.08 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.35 0 O-C-N 122.64 -0.329 . . . . 0.0 110.73 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.2 -45.83 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.77 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 98.7 m-20 -62.75 -37.17 85.55 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.582 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 51.6 tp10 -60.67 -51.63 68.57 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.244 -0.582 . . . . 0.0 110.856 -178.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 87.9 m -71.84 -40.17 69.24 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 120.906 0.384 . . . . 0.0 110.893 -179.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.7 t -60.99 -49.25 78.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.143 -178.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -86.62 -67.27 0.83 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.462 -179.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 83.9 mtp180 -80.71 162.68 24.02 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.672 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -91.64 85.74 5.78 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.182 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 30.1 p -67.38 150.46 48.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -61.92 139.19 58.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.49 -179.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 80.0 mt -63.74 -39.4 94.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.414 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 44.4 ttm180 -60.05 -44.92 94.36 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.583 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -61.44 -39.94 92.66 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-O 120.949 0.404 . . . . 0.0 110.579 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.562 HD12 ' CE2' ' X' ' 61' ' ' TYR . 9.6 tp -59.46 -35.71 74.58 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.101 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -57.5 -37.01 72.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.77 0.319 . . . . 0.0 110.692 -179.429 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 76.8 mtm -62.62 -13.49 32.2 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.562 ' CE2' HD12 ' X' ' 58' ' ' LEU . 13.1 m-30 -73.8 -24.74 59.86 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 121.11 0.481 . . . . 0.0 110.582 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 65.2 m -66.96 169.95 7.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.233 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -70.73 154.35 94.37 Favored Pre-proline 0 N--CA 1.449 -0.491 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.883 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -75.45 158.99 40.18 Favored 'Trans proline' 0 C--N 1.307 -1.647 0 C-N-CA 123.151 2.568 . . . . 0.0 112.128 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . 0.521 HD12 ' O ' ' X' ' 66' ' ' LYS . 3.3 pp -142.77 158.68 43.39 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.583 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . 0.521 ' O ' HD12 ' X' ' 65' ' ' LEU . 64.7 pttt -80.15 160.33 68.53 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.864 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 33.9 Cg_exo -58.37 142.93 98.06 Favored 'Trans proline' 0 N--CA 1.498 1.769 0 C-N-CA 122.644 2.229 . . . . 0.0 112.166 179.565 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.36 -40.65 95.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.722 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 60.3 tptt -63.33 133.11 53.58 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.484 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 67.6 m -124.91 146.59 49.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.541 179.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.546 -179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.299 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.94 -179.2 47.93 Favored Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.867 -0.893 . . . . 0.0 110.867 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo -62.65 152.86 75.63 Favored 'Trans proline' 0 C--N 1.309 -1.551 0 C-N-CA 123.426 2.751 . . . . 0.0 111.715 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -146.02 127.94 15.45 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.708 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.7 p -129.94 160.68 32.86 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.803 179.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 80.4 mt -109.31 118.4 36.59 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.521 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 19.0 t -158.72 138.86 12.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.295 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 98.19 -148.44 18.89 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 110.889 -0.884 . . . . 0.0 110.889 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.82 80.84 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 121.083 -0.247 . . . . 0.0 110.512 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.25 -42.03 94.48 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.844 -0.342 . . . . 0.0 110.539 -179.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.425 HD21 ' HA ' ' X' ' 45' ' ' VAL . 65.5 tp -63.21 -46.9 84.82 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.495 179.637 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 39.0 t -61.4 -46.32 96.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.038 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -62.27 -40.13 95.22 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.263 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.91 -39.82 93.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.473 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.456 HD21 HD11 ' X' ' 58' ' ' LEU . 73.1 mt -61.14 -42.17 98.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.726 -179.833 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -64.3 -41.91 96.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.269 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -63.23 -50.53 69.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.553 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.7 t -63.36 -49.01 84.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.295 -178.582 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 75.0 m -68.97 -37.24 78.67 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-O 121.472 0.653 . . . . 0.0 110.245 -179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 61.38 -130.45 46.6 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.882 -0.887 . . . . 0.0 110.882 -179.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -58.89 -34.56 71.8 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.69 0.281 . . . . 0.0 110.486 -179.664 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . 0.613 ' O ' ' HB3' ' X' ' 63' ' ' ALA . 90.7 mtm180 -61.4 -39.48 90.85 Favored 'General case' 0 C--N 1.327 -0.397 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.569 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.37 -163.68 30.83 Favored Glycine 0 CA--C 1.527 0.831 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 54.7 p90 -156.41 162.5 40.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.678 0.275 . . . . 0.0 110.464 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 45.4 p90 -146.67 165.35 29.85 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.483 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . . . . . . . . . 95.5 m-85 -114.84 134.51 55.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.578 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -90.37 105.13 17.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.381 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt 49.13 62.14 12.73 Favored Pre-proline 0 C--N 1.33 -0.263 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.822 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 37.7 Cg_endo -66.41 -22.32 52.48 Favored 'Trans proline' 0 C--N 1.307 -1.639 0 C-N-CA 122.794 2.329 . . . . 0.0 112.093 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 62.1 p -132.11 159.62 38.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.564 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.11 98.83 1.73 Allowed Glycine 0 CA--C 1.524 0.602 0 N-CA-C 110.738 -0.945 . . . . 0.0 110.738 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 89.7 t80 -62.35 134.83 57.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.735 0.302 . . . . 0.0 110.705 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -109.49 138.7 14.95 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.927 -0.869 . . . . 0.0 110.927 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 70.4 m -105.15 -0.97 26.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.597 0.237 . . . . 0.0 110.777 179.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 48.9 p -65.21 -22.41 66.88 Favored 'General case' 0 N--CA 1.451 -0.411 0 CA-C-O 120.73 0.3 . . . . 0.0 110.562 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 88.3 p -157.25 161.59 39.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.553 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 75.3 mtp85 -62.85 -40.01 96.14 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.609 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 91.8 mtm180 -67.76 148.02 51.82 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.526 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . 0.498 ' HB1' ' HD2' ' X' ' 40' ' ' PRO . . . -126.66 160.47 58.38 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.68 -179.636 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . 0.498 ' HD2' ' HB1' ' X' ' 39' ' ' ALA . 57.5 Cg_endo -74.69 64.25 5.75 Favored 'Trans proline' 0 C--N 1.308 -1.593 0 C-N-CA 122.688 2.259 . . . . 0.0 112.057 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 97.7 mt-30 -99.55 11.04 40.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.767 179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 91.6 m -114.75 133.07 56.2 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.58 -179.524 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -153.69 179.04 30.3 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . . . . . . . . . 33.4 pt -64.16 -30.59 50.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 110.286 -0.264 . . . . 0.0 110.286 -179.546 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.425 ' HA ' HD21 ' X' ' 11' ' ' LEU . 51.4 t -62.71 -47.15 94.27 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.288 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.797 179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -65.39 -38.65 90.65 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.898 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 88.7 tt0 -60.9 -51.1 70.7 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.255 -0.578 . . . . 0.0 111.104 -178.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 84.9 m -71.95 -40.79 68.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.94 0.4 . . . . 0.0 111.006 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 53.9 t -60.42 -47.8 84.51 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.84 -179.266 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -86.13 -69.09 0.69 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.937 0.399 . . . . 0.0 110.42 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 84.3 mtp180 -80.41 160.82 25.23 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.596 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -88.99 100.28 13.08 Favored 'General case' 0 C--N 1.326 -0.421 0 C-N-CA 120.674 -0.41 . . . . 0.0 110.423 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 26.2 p -88.53 135.0 33.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.511 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -76.59 158.07 31.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.875 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 85.2 mt -61.68 -39.83 92.82 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.22 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 59.5 ttt85 -59.63 -46.56 88.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.219 179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 43.7 ttm180 -65.73 -38.95 90.55 Favored 'General case' 0 N--CA 1.443 -0.775 0 CA-C-O 120.994 0.426 . . . . 0.0 110.18 179.113 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.456 HD11 HD21 ' X' ' 15' ' ' LEU . 10.9 tp -56.41 -32.57 64.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.578 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -63.77 -21.83 66.61 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 99.1 mtp -63.94 -35.41 80.59 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.97 0.414 . . . . 0.0 110.615 -179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -75.07 -15.04 60.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.796 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 71.3 m -70.25 152.28 44.4 Favored 'General case' 0 C--O 1.232 0.182 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.613 ' HB3' ' O ' ' X' ' 22' ' ' ARG . . . -68.77 157.4 88.77 Favored Pre-proline 0 N--CA 1.45 -0.427 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.55 -179.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.423 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 59.1 Cg_endo -73.91 154.86 48.36 Favored 'Trans proline' 0 C--N 1.305 -1.762 0 C-N-CA 122.94 2.426 . . . . 0.0 112.108 -179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 92.2 mt -70.16 144.25 52.05 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.48 179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 38.3 mtpt 47.57 62.03 12.66 Favored Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.727 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -69.08 152.55 72.82 Favored 'Trans proline' 0 C--N 1.307 -1.654 0 C-N-CA 122.753 2.302 . . . . 0.0 112.195 -179.421 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.83 91.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.648 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt 54.82 42.96 30.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.481 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 80.4 p -70.58 160.45 32.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.447 -179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.618 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.244 0 N-CA-C 109.456 -1.457 . . . . 0.0 109.456 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.44 -174.28 46.09 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_exo -61.52 151.17 81.68 Favored 'Trans proline' 0 C--N 1.309 -1.51 0 C-N-CA 123.312 2.675 . . . . 0.0 111.639 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 16.2 tm-20 -145.2 126.59 14.93 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.619 -0.719 . . . . 0.0 110.501 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 12.8 t -148.59 152.11 36.21 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.592 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.66 125.13 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.517 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 25.6 t -159.51 137.43 10.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.329 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 101.09 -149.63 18.45 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.13 -0.788 . . . . 0.0 111.13 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.57 -37.56 81.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.534 0.207 . . . . 0.0 110.498 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -60.26 -41.68 93.73 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.35 -179.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.412 HD21 ' HA ' ' X' ' 45' ' ' VAL . 64.1 tp -62.3 -47.13 85.65 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.677 -0.409 . . . . 0.0 110.403 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -61.56 -45.82 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.079 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -62.25 -39.07 91.63 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.756 -0.657 . . . . 0.0 110.436 179.54 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.86 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.179 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . . . . . . . . . 76.0 mt -61.71 -42.99 99.68 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.623 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 72.8 tp60 -65.41 -40.64 93.63 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.194 179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.09 -50.29 73.85 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.706 179.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 69.1 t -64.13 -47.47 89.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.034 -178.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 94.6 m -66.98 -37.8 84.9 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.43 -179.562 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 60.8 -128.8 45.73 Favored Glycine 0 CA--C 1.523 0.542 0 N-CA-C 110.702 -0.959 . . . . 0.0 110.702 -179.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -58.37 -34.91 71.21 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.683 0.277 . . . . 0.0 110.574 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 91.7 mtm180 -61.18 -39.09 88.87 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.474 -179.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.33 -172.49 26.64 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 110.859 -0.897 . . . . 0.0 110.859 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 39.8 p90 -152.44 162.81 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.841 0.353 . . . . 0.0 110.334 179.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . 0.409 ' HD2' ' HB2' ' X' ' 63' ' ' ALA . 42.0 p90 -146.74 168.05 22.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.366 -179.657 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . 0.499 ' CE2' HD11 ' X' ' 44' ' ' ILE . 97.5 m-85 -113.36 153.96 27.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.575 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -57.96 149.22 23.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.407 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -63.53 152.33 85.94 Favored Pre-proline 0 C--N 1.326 -0.424 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.85 -19.9 46.16 Favored 'Trans proline' 0 N--CA 1.493 1.464 0 C-N-CA 122.701 2.267 . . . . 0.0 112.309 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 93.0 m -60.9 131.38 50.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.711 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 120.76 34.37 0.92 Allowed Glycine 0 CA--C 1.522 0.531 0 N-CA-C 110.741 -0.944 . . . . 0.0 110.741 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 84.0 m-85 -68.17 141.22 56.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.826 0.346 . . . . 0.0 110.641 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -72.85 158.63 53.2 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.936 -0.865 . . . . 0.0 110.936 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 89.8 p -118.66 -23.93 6.9 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.809 0.338 . . . . 0.0 110.679 179.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 43.4 t -61.92 -46.09 90.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.833 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 72.9 p -137.13 18.83 2.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.788 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 69.4 mtp85 58.03 47.32 14.96 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.917 0.389 . . . . 0.0 110.604 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -65.02 141.63 58.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.552 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -129.88 73.77 81.17 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.452 -179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_endo -71.41 73.5 2.18 Favored 'Trans proline' 0 C--N 1.306 -1.68 0 C-N-CA 122.84 2.36 . . . . 0.0 112.181 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 99.4 mt-30 -92.26 10.92 27.57 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.86 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 8.7 t -148.29 149.79 32.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.484 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -151.15 -71.62 0.01 OUTLIER Glycine 0 CA--C 1.524 0.639 0 N-CA-C 111.178 -0.769 . . . . 0.0 111.178 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.499 HD11 ' CE2' ' X' ' 26' ' ' PHE . 32.8 pt -62.83 -32.55 56.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.662 0.268 . . . . 0.0 110.646 -179.69 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.412 ' HA ' HD21 ' X' ' 11' ' ' LEU . 53.6 t -63.37 -47.31 92.5 Favored 'Isoleucine or valine' 0 CA--C 1.518 -0.264 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.901 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -64.26 -39.48 94.03 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.87 -0.604 . . . . 0.0 111.059 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -61.28 -50.8 71.56 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.185 -0.606 . . . . 0.0 111.443 -178.552 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 88.4 m -72.33 -40.51 67.39 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.746 -0.382 . . . . 0.0 111.39 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.4 t -61.12 -47.09 87.85 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.031 -179.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -87.52 -67.96 0.79 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.952 0.406 . . . . 0.0 110.195 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 99.7 mtt180 -80.54 163.69 23.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.613 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 41.1 t -92.67 99.45 12.14 Favored 'General case' 0 C--N 1.326 -0.442 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.237 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 32.0 p -85.6 133.67 34.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.493 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -71.49 152.52 42.95 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 82.3 mt -62.96 -39.69 95.42 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.728 179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 71.7 ttp85 -60.27 -47.11 87.4 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.563 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 56.5 ttm-85 -64.07 -40.26 95.88 Favored 'General case' 0 N--CA 1.444 -0.75 0 CA-C-O 120.93 0.395 . . . . 0.0 110.356 178.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.527 HD12 ' CE2' ' X' ' 61' ' ' TYR . 7.6 tp -56.64 -32.1 65.0 Favored 'General case' 0 C--O 1.219 -0.541 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.143 -179.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.2 -33.31 70.8 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 120.805 0.336 . . . . 0.0 110.412 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 78.2 mtm -68.51 -11.33 59.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.42 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.527 ' CE2' HD12 ' X' ' 58' ' ' LEU . 12.7 m-30 -76.58 -17.5 59.17 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.955 0.407 . . . . 0.0 110.83 -179.605 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 68.4 m -62.82 156.62 23.49 Favored 'General case' 0 N--CA 1.449 -0.482 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.046 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.51 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -69.91 163.92 56.35 Favored Pre-proline 0 N--CA 1.446 -0.645 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.367 -179.544 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.51 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 50.4 Cg_exo -52.25 143.27 43.4 Favored 'Trans proline' 0 C--N 1.303 -1.825 0 C-N-CA 123.0 2.466 . . . . 0.0 111.839 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.88 145.7 50.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.758 -179.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt 50.49 68.45 3.4 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.438 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -59.08 139.4 90.45 Favored 'Trans proline' 0 N--CA 1.497 1.691 0 C-N-CA 122.752 2.302 . . . . 0.0 111.938 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . 51.26 24.86 2.21 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.916 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -133.16 -31.13 1.28 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.791 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 75.1 m -62.01 -39.91 93.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.489 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.547 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.354 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . -77.61 172.97 55.15 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.812 -0.915 . . . . 0.0 110.812 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -74.23 66.05 5.3 Favored 'Trans proline' 0 C--N 1.306 -1.663 0 C-N-CA 122.78 2.32 . . . . 0.0 112.148 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 57.02 47.02 18.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.548 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 81.5 p -125.63 159.67 31.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.599 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . 0.501 HD13 ' HB2' ' X' ' 14' ' ' ALA . 71.9 mt -102.51 110.15 22.0 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.467 -179.666 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 85.4 m -132.71 157.68 44.28 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.606 179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.37 -126.13 41.41 Favored Glycine 0 CA--C 1.523 0.557 0 N-CA-C 111.042 -0.823 . . . . 0.0 111.042 179.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.45 -37.25 80.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 120.661 0.267 . . . . 0.0 110.525 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.15 -42.04 97.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.551 -179.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 62.8 tp -65.89 -41.78 91.1 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.639 179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 38.7 t -59.93 -43.53 92.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.919 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 66.5 t0 -60.72 -43.85 97.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.258 -179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . 0.501 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -61.66 -42.26 98.67 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.734 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.406 ' CD2' HD21 ' X' ' 58' ' ' LEU . 44.3 mt -61.71 -42.84 99.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.573 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 97.0 mt-30 -65.43 -40.35 93.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.463 179.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 46.5 t80 -59.93 -49.52 77.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.042 179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 83.9 t -62.68 -43.64 98.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.445 -179.232 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 78.6 m -68.87 -18.3 64.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.335 -179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 81.71 55.63 3.13 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.087 -0.805 . . . . 0.0 111.087 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 66.6 m-20 60.29 42.76 14.53 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.704 0.288 . . . . 0.0 110.701 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 98.1 mtt180 -130.69 118.15 20.5 Favored 'General case' 0 N--CA 1.45 -0.443 0 CA-C-O 121.144 0.497 . . . . 0.0 109.881 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.03 154.6 28.35 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.838 -0.905 . . . . 0.0 110.838 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -127.18 145.46 50.75 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 110.887 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -62.74 -33.95 76.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.859 -179.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . 0.402 ' CZ ' HG23 ' X' ' 45' ' ' VAL . 81.0 t80 60.74 155.27 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.633 179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 63.8 t30 64.94 89.58 0.09 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.894 0.378 . . . . 0.0 111.055 179.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -68.92 158.69 85.54 Favored Pre-proline 0 C--N 1.327 -0.388 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.801 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.65 -32.79 56.2 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.653 2.235 . . . . 0.0 111.888 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 12.8 t -142.47 146.91 35.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.859 0.361 . . . . 0.0 110.533 179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . -139.85 22.79 2.8 Favored Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.899 -0.88 . . . . 0.0 110.899 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -106.27 127.64 53.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.839 0.352 . . . . 0.0 110.395 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.5 -176.68 49.6 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 111.057 -0.817 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 80.7 p -114.68 9.95 16.56 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.657 0.265 . . . . 0.0 110.816 179.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 29.4 t -156.85 138.61 14.22 Favored 'General case' 0 N--CA 1.452 -0.364 0 CA-C-O 121.382 0.61 . . . . 0.0 110.475 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 83.5 p -64.45 152.58 41.23 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.223 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 57.68 16.36 3.42 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.655 -179.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -136.69 151.98 49.87 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-O 120.787 0.327 . . . . 0.0 110.316 179.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . 51.56 63.41 9.48 Favored Pre-proline 0 C--N 1.328 -0.367 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.764 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -74.07 67.84 5.0 Favored 'Trans proline' 0 C--N 1.307 -1.64 0 C-N-CA 122.915 2.41 . . . . 0.0 112.041 179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 98.9 mt-30 -105.71 18.09 22.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.724 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 98.6 m -60.06 -46.78 88.4 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -142.07 117.45 1.17 Allowed Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.904 -0.878 . . . . 0.0 110.904 179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.515 HG23 ' CE2' ' X' ' 61' ' ' TYR . 81.9 mt -61.95 -47.56 92.64 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.247 0 CA-C-O 120.714 0.293 . . . . 0.0 110.672 179.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . 0.402 HG23 ' CZ ' ' X' ' 26' ' ' PHE . 54.7 t -66.57 -44.14 90.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.149 179.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.82 -39.43 94.22 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.131 -179.37 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 52.8 tp10 -61.88 -51.1 69.57 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.33 -0.548 . . . . 0.0 111.083 -178.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 90.2 m -71.84 -40.64 68.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.965 0.412 . . . . 0.0 111.102 -179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 50.9 t -61.4 -48.52 80.87 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.757 -178.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 61.5 m-85 -85.16 -68.42 0.73 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.936 0.398 . . . . 0.0 110.187 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 85.5 mtp180 -80.89 162.09 24.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.741 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.4 t -91.38 90.74 7.83 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.746 -0.382 . . . . 0.0 110.161 179.751 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 28.8 p -72.71 142.72 48.2 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.541 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -65.69 139.39 58.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.943 -179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . . . . . . . . . 87.3 mt -65.18 -39.9 93.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.612 179.633 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -59.06 -48.26 82.26 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.45 -179.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 52.2 ttp180 -63.71 -37.77 88.6 Favored 'General case' 0 N--CA 1.447 -0.624 0 CA-C-O 120.912 0.386 . . . . 0.0 110.23 179.433 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . 0.406 HD21 ' CD2' ' X' ' 15' ' ' LEU . 7.5 tp -58.73 -31.26 68.14 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.407 -179.323 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 60.9 t0 -57.58 -31.99 66.72 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.862 0.363 . . . . 0.0 110.439 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 98.7 mtp -62.96 -19.62 64.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.816 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.515 ' CE2' HG23 ' X' ' 44' ' ' ILE . 13.3 m-30 -76.59 -11.77 59.92 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.88 0.371 . . . . 0.0 110.602 -179.566 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 86.1 m -66.4 160.81 24.01 Favored 'General case' 0 N--CA 1.449 -0.503 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.157 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . . . . . . . . . . . -117.16 92.96 41.17 Favored Pre-proline 0 C--N 1.325 -0.465 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.231 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . . . . . . . . . 43.5 Cg_exo -56.81 140.27 90.94 Favored 'Trans proline' 0 N--CA 1.496 1.659 0 C-N-CA 122.821 2.348 . . . . 0.0 111.804 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 86.9 mt -78.29 147.73 34.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.729 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 50.9 mttp -125.63 70.5 65.05 Favored Pre-proline 0 C--N 1.331 -0.223 0 CA-C-O 120.966 0.412 . . . . 0.0 110.297 -179.609 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -71.11 152.74 62.55 Favored 'Trans proline' 0 C--N 1.308 -1.575 0 C-N-CA 122.892 2.395 . . . . 0.0 112.051 179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.32 -41.8 97.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.778 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 41.4 ttmt -61.45 -45.19 95.31 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.619 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 57.9 m 55.46 37.17 28.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.629 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.588 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.288 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 2' ' ' GLY . . . . . . . . . . . . . . . 69.29 -162.64 51.69 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 110.811 -0.916 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 3' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -72.62 71.52 3.21 Favored 'Trans proline' 0 C--N 1.307 -1.637 0 C-N-CA 122.818 2.346 . . . . 0.0 112.169 179.375 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 4' ' ' GLU . . . . . . . . . . . . . 79.5 mm-40 57.75 44.1 20.93 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.626 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 5' ' ' THR . . . . . . . . . . . . . 98.6 m -112.04 127.51 55.92 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.57 -179.829 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 6' ' ' LEU . . . . . 0.417 HD13 ' HB2' ' X' ' 14' ' ' ALA . 66.8 mt -119.68 102.09 8.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.557 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 7' ' ' CYS . . . . . . . . . . . . . 77.2 m -129.38 157.1 42.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.488 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 8' ' ' GLY . . . . . . . . . . . . . . . 59.84 -124.74 37.12 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 111.099 -0.801 . . . . 0.0 111.099 179.494 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.51 -36.83 76.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.638 0.256 . . . . 0.0 110.421 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 10' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -59.33 -43.07 92.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.646 -179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 60.6 tp -63.16 -47.4 82.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.827 179.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 12' ' ' VAL . . . . . . . . . . . . . 23.0 t -61.58 -46.66 96.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.135 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 13' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -62.6 -41.09 98.77 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.758 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 14' ' ' ALA . . . . . 0.417 ' HB2' HD13 ' X' ' 6' ' ' LEU . . . -62.9 -42.2 99.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.771 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 15' ' ' LEU . . . . . 0.473 HD13 ' CD1' ' X' ' 24' ' ' PHE . 80.0 mt -61.61 -42.25 98.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.666 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 16' ' ' GLN . . . . . . . . . . . . . 64.7 tt0 -64.95 -38.84 92.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.229 0.538 . . . . 0.0 110.184 179.025 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 17' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -60.29 -48.63 80.94 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 179.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 18' ' ' VAL . . . . . . . . . . . . . 75.7 t -62.06 -47.93 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.825 -178.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 19' ' ' CYS . . . . . . . . . . . . . 73.8 m -102.46 -77.13 0.56 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.786 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 20' ' ' GLY . . . . . . . . . . . . . . . 62.09 30.53 75.9 Favored Glycine 0 CA--C 1.521 0.458 0 N-CA-C 111.098 -0.801 . . . . 0.0 111.098 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 21' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -147.69 -78.92 0.15 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.757 0.313 . . . . 0.0 110.666 -179.246 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 22' ' ' ARG . . . . . . . . . . . . . 72.4 mtp85 -62.25 -39.41 92.78 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.485 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 23' ' ' GLY . . . . . . . . . . . . . . . 107.84 174.97 22.24 Favored Glycine 0 CA--C 1.524 0.642 0 N-CA-C 111.074 -0.81 . . . . 0.0 111.074 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 24' ' ' PHE . . . . . 0.473 ' CD1' HD13 ' X' ' 15' ' ' LEU . 42.7 p90 -147.58 151.13 35.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.784 0.326 . . . . 0.0 110.78 -179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 25' ' ' TYR . . . . . . . . . . . . . 43.7 p90 -152.67 163.82 38.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.584 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 26' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' X' ' 44' ' ' ILE . 96.7 m-85 -126.16 139.17 53.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.596 179.571 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 27' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -85.08 177.62 7.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.53 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 28' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -81.13 151.99 70.6 Favored Pre-proline 0 N--CA 1.454 -0.233 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.718 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 29' ' ' PRO . . . . . . . . . . . . . 38.0 Cg_endo -67.25 -29.0 39.53 Favored 'Trans proline' 0 C--N 1.309 -1.543 0 C-N-CA 122.748 2.299 . . . . 0.0 112.204 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 30' ' ' THR . . . . . . . . . . . . . 93.9 m -123.73 128.14 49.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.658 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 31' ' ' GLY . . . . . . . . . . . . . . . 128.88 -4.31 6.47 Favored Glycine 0 CA--C 1.526 0.741 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 32' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -125.69 144.65 50.51 Favored 'General case' 0 N--CA 1.448 -0.546 0 CA-C-O 120.674 0.273 . . . . 0.0 110.586 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 33' ' ' GLY . . . . . . . . . . . . . . . 93.51 157.63 33.42 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 110.785 -0.926 . . . . 0.0 110.785 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 34' ' ' SER . . . . . . . . . . . . . 69.4 m -113.78 4.87 16.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.718 0.294 . . . . 0.0 110.801 179.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 35' ' ' SER . . . . . . . . . . . . . 31.1 t -146.56 123.88 11.61 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-O 120.833 0.349 . . . . 0.0 110.578 -179.758 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 36' ' ' SER . . . . . . . . . . . . . 99.6 p -65.29 -28.92 69.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.722 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 37' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -61.7 -44.51 96.78 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.405 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 38' ' ' ARG . . . . . . . . . . . . . 60.2 ttp180 -66.98 -41.06 87.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.579 179.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 39' ' ' ALA . . . . . . . . . . . . . . . -130.29 73.37 81.36 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.644 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 40' ' ' PRO . . . . . . . . . . . . . 58.1 Cg_endo -78.0 72.35 6.22 Favored 'Trans proline' 0 C--N 1.306 -1.679 0 C-N-CA 122.883 2.389 . . . . 0.0 112.041 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 41' ' ' GLN . . . . . . . . . . . . . 22.3 mp0 53.43 47.9 23.07 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.535 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 42' ' ' THR . . . . . . . . . . . . . 95.6 m -112.61 132.47 55.13 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.662 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 43' ' ' GLY . . . . . . . . . . . . . . . -118.13 135.84 11.92 Favored Glycine 0 CA--C 1.528 0.866 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 -179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 44' ' ' ILE . . . . . 0.531 HD11 ' CE2' ' X' ' 26' ' ' PHE . 43.4 pt -59.83 -27.6 38.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-O 120.981 0.419 . . . . 0.0 110.42 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 45' ' ' VAL . . . . . . . . . . . . . 46.1 t -62.9 -46.2 96.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.811 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 46' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 -65.12 -32.48 74.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.455 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 47' ' ' GLU . . . . . . . . . . . . . 79.7 mm-40 -61.29 -52.26 65.47 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.293 -0.563 . . . . 0.0 110.735 -178.045 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 48' ' ' CYS . . . . . . . . . . . . . 98.7 m -72.66 -40.68 66.16 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.879 0.371 . . . . 0.0 110.718 179.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 49' ' ' CYS . . . . . . . . . . . . . 51.5 t -60.37 -48.85 79.98 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.799 -178.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 50' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -86.38 -67.33 0.82 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.57 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 51' ' ' ARG . . . . . . . . . . . . . 70.8 mtp85 -80.2 161.65 25.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.323 179.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 52' ' ' SER . . . . . . . . . . . . . 37.7 t -88.83 114.47 25.49 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.611 -179.716 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 53' ' ' CYS . . . . . . . . . . . . . 17.9 p -110.58 137.54 48.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.367 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 54' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -63.15 147.41 50.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.17 0.51 . . . . 0.0 110.909 -179.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 55' ' ' LEU . . . . . 0.403 HD23 ' HA ' ' X' ' 55' ' ' LEU . 84.1 mt -65.91 -35.58 81.02 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.524 179.482 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 56' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -56.24 -48.42 76.55 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.583 -178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 57' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -75.66 -22.55 56.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.577 179.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 58' ' ' LEU . . . . . . . . . . . . . 56.6 tp -63.11 -34.18 77.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.504 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 59' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -53.42 -22.59 8.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.68 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 60' ' ' MET . . . . . . . . . . . . . 77.1 mtm -67.57 -9.53 43.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.864 179.539 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 61' ' ' TYR . . . . . 0.422 ' CZ ' ' HB ' ' X' ' 44' ' ' ILE . 4.2 m-30 -70.91 -31.67 68.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.672 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 62' ' ' CYS . . . . . . . . . . . . . 76.2 m -67.1 163.18 20.68 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 63' ' ' ALA . . . . . 0.496 ' HB1' ' HD2' ' X' ' 64' ' ' PRO . . . -65.26 162.32 41.47 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.55 -179.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 64' ' ' PRO . . . . . 0.496 ' HD2' ' HB1' ' X' ' 63' ' ' ALA . 50.2 Cg_exo -50.92 139.74 40.44 Favored 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 122.737 2.291 . . . . 0.0 112.047 -179.678 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 65' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -126.21 25.05 6.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.558 -179.8 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 66' ' ' LYS . . . . . . . . . . . . . 18.5 ptmt -131.03 73.26 81.16 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.144 0.497 . . . . 0.0 110.635 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 67' ' ' PRO . . . . . . . . . . . . . 31.4 Cg_exo -58.05 144.54 94.58 Favored 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 122.797 2.331 . . . . 0.0 112.004 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.04 -39.93 91.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.871 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 69' ' ' LYS . . . . . . . . . . . . . 62.6 mtpt -61.34 -39.66 91.4 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.615 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 70' ' ' SER . . . . . . . . . . . . . 41.7 t -62.55 139.63 58.62 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.607 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 71' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.567 -179.978 . . . . . . . . 0 0 . 1 stop_ save_