data_2low_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2low _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.21 -25.54 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 40.9 m-20 -108.65 -17.54 13.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' OD1' ' OE2' ' A' ' 18' ' ' GLU . 6.8 t30 -50.6 -21.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.98 -25.68 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ASP . 4.5 t -81.93 -28.4 32.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' A' ' 15' ' ' ASN . 8.0 pt-20 -52.82 -21.55 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.9 m -87.97 -30.11 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -89.13 -23.67 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 3.7 t80 -50.81 -35.37 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 p -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -92.18 -55.16 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -45.33 -49.22 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.602 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -54.19 -24.38 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 34.5 m -94.26 -49.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.77 23.44 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -132.36 30.97 3.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.45 -18.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.679 0.276 . . . . 1.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.129 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.494 1.524 0 CA-C-O 120.82 0.258 . . . . 1.0 112.025 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.41 -70.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.02 -50.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -45.08 -57.6 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.0 mmt -61.12 -62.2 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.72 -21.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' MET . 33.9 t -101.0 -24.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -78.45 -57.33 3.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 2.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.7 mt -100.61 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.595 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.95 10.69 71.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.059 -0.816 . . . . 1.0 111.059 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.78 32.12 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 1.0 110.615 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.99 -50.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.77 -13.42 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.84 -54.53 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 1.0 110.496 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.604 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -57.18 -47.64 86.07 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 tp -56.94 -50.38 72.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 1.0 110.355 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.33 -69.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 87.5 mt -45.64 -28.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -78.46 -49.0 14.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 m -62.33 -46.94 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.54 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.443 ' CG1' ' HZ2' ' A' ' 57' ' ' LYS . 41.3 t -61.0 -47.28 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.2 m-85 -53.71 -12.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.0 mtp85 -105.28 -13.46 15.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.628 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -29.44 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HZ2' ' CG1' ' A' ' 53' ' ' VAL . 36.0 mttp -99.94 -28.7 12.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.555 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.7 -28.05 57.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 1.0 110.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.09 -34.96 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 1.0 110.475 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.53 -22.3 21.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.6 -25.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -25.88 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.8 t -81.98 -25.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.565 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.3 mt-10 -59.56 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -46.42 -27.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 71.4 mm-40 -88.94 -20.85 23.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.667 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' SER . 33.5 t80 -48.44 -29.03 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -79.4 -21.88 45.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -106.88 -56.6 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.743 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.06 -34.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.975 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 16.5 tttp -52.9 -42.13 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.521 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 m -108.61 -15.33 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.761 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.2 m -102.45 0.23 33.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -76.72 3.51 55.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.93 -6.03 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.688 0.28 . . . . 1.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.954 -179.837 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.794 0.247 . . . . 1.0 112.066 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.86 -36.64 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.257 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.07 -62.79 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.542 ' SD ' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -52.12 -57.4 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.613 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.75 -34.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.506 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.44 -20.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.486 ' C ' ' H ' ' A' ' 41' ' ' LEU . 3.7 t80 -77.53 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.46 0.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 39' ' ' PHE . 3.9 mt -101.54 -52.18 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.64 10.71 61.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.63 24.84 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.696 0.284 . . . . 1.0 110.553 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -129.78 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.45 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.6 17.97 6.42 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -126.8 -50.62 1.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.864 0.364 . . . . 1.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.31 -45.99 82.0 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.32 -51.5 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 1.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.42 -65.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.559 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -48.57 -28.72 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.4 t90 -78.43 -47.73 16.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.452 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' LYS . 18.0 m -64.91 -51.97 59.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.396 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.1 t -52.44 -53.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.385 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.44 -46.99 48.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.479 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -75.79 -26.54 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.463 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' THR . 7.5 tptm -62.41 -55.49 27.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -84.17 -15.61 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.76 -29.6 47.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.88 -35.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 1.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 16' ' ' GLN . 20.5 m-20 -98.03 -23.43 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.83 -13.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.48 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 14' ' ' ASP . 3.7 pp0? -100.17 -24.29 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -83.31 -25.35 31.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.524 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.41 -5.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.485 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.521 ' H ' ' C ' ' A' ' 17' ' ' SER . 5.6 m -101.54 -43.09 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -85.77 -17.45 35.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.54 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.58 80.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -13.37 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.573 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.39 -47.03 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -52.69 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -46.89 -23.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -101.55 -44.68 5.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -79.26 11.6 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.72 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.42 8.0 80.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.08 20.83 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo . . . . . 0 N--CA 1.494 1.512 0 CA-C-O 120.782 0.242 . . . . 1.0 111.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.7 -39.6 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -62.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.521 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.03 -54.23 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -47.74 -30.08 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.6 t -92.91 -23.1 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.462 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.3 t80 -76.7 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.7 0.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.1 mt -97.16 -59.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.557 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.02 9.19 65.54 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -131.96 32.63 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 1.0 110.566 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.3 m -136.79 -51.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.0 -6.8 48.37 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.611 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.56 -51.35 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.611 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.34 -53.5 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -49.48 -51.46 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 1.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.2 -72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.462 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -44.59 -26.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.476 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.44 -47.89 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.483 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.51 -42.28 87.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.23 -45.41 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.24 -14.83 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -110.62 5.04 20.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.82 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -120.42 -27.18 5.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.331 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -101.43 -32.87 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.54 -30.1 34.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 1.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.8 -31.82 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 1.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -84.29 -28.75 26.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.466 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.62 -27.29 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.461 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -103.42 -2.19 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -101.92 -41.14 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.09 -23.31 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.41 -29.85 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -94.26 -23.86 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.38 -32.68 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.7 p -77.72 -20.51 53.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -51.94 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -44.27 -56.57 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.545 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -47.04 -22.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.39 -47.8 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.673 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -77.48 2.92 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -94.25 1.11 66.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.16 41.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.031 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 N--CA 1.494 1.558 0 CA-C-O 120.817 0.257 . . . . 1.0 112.036 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.634 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 mp -49.08 -48.14 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -51.75 -55.24 20.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.11 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.639 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -46.91 -17.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 36' ' ' MET . 35.9 t -101.89 -24.65 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' MET . 34.8 t80 -80.54 -56.2 4.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.95 1.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.5 mt -101.22 -61.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.58 10.58 72.58 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -136.2 33.27 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 1.0 110.525 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -135.94 -51.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.04 -6.72 39.35 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.39 -51.08 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.42 39.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tp -53.5 -45.01 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.5 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.38 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.35 -25.68 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -81.44 -47.39 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 m -64.4 -45.75 86.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.81 -46.14 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -16.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.1 mtp85 -101.48 -12.3 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.69 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -29.69 11.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -100.48 -30.89 11.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.95 -27.54 60.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.03 -26.11 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 17' ' ' SER . 12.6 p-10 -109.25 -16.97 13.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -50.87 -19.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.61 -25.3 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.552 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 19' ' ' CYS . 67.1 p -78.15 -49.5 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.589 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -49.54 -14.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.581 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 17' ' ' SER . 16.5 t -68.41 -28.88 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -94.33 9.27 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.451 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.81 -46.83 62.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.9 p -62.84 -25.91 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.59 -39.93 11.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.532 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLY . 21.3 t90 -46.9 -52.95 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -46.6 -31.86 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -89.27 -49.41 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 m -84.55 16.52 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -127.12 35.97 2.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.54 -3.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.68 0.276 . . . . 1.0 110.652 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 N--CA 1.493 1.492 0 CA-C-O 120.801 0.25 . . . . 1.0 111.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.12 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.19 -46.2 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -64.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.413 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.2 mmt -61.25 -56.49 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.03 -25.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -101.14 -26.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -71.21 -58.03 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -61.28 -36.43 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.547 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -71.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -57.84 -57.69 18.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -48.2 -13.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.282 . . . . 1.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 42' ' ' GLY . 95.8 m -110.82 -26.51 9.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.61 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.82 -4.63 56.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.045 -0.822 . . . . 1.0 111.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -106.93 -44.32 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.802 0.334 . . . . 1.0 110.576 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.529 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.1 -56.52 8.83 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.64 -47.82 20.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 1.0 110.388 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.15 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -42.0 -30.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 77.9 t90 -72.97 -51.01 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.297 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -56.83 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.062 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 t -43.43 -38.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.523 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.25 -52.38 54.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -72.23 -9.59 58.66 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.554 -0.536 . . . . 1.0 109.554 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -87.06 -51.88 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.324 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -23.82 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.619 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.55 -28.77 51.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 -27.89 2.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.814 0.34 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -28.96 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -50.09 -28.79 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.572 ' H ' HE21 ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.23 -26.99 18.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' TYR . 62.0 p -74.31 -34.93 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' TYR . 24.2 mt-10 -58.99 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -43.28 -27.77 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.84 -29.4 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.578 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.2 t80 -67.64 -35.06 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 t -78.69 -14.43 59.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.81 -53.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.87 -44.58 9.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -47.81 -30.52 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.8 m -102.59 -42.84 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.52 30.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.612 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -128.94 24.9 4.73 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.12 17.67 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 1.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.743 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 N--CA 1.494 1.505 0 CA-C-O 120.782 0.242 . . . . 1.0 112.02 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -67.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.87 -39.42 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -61.22 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.05 -55.74 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.604 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.93 -35.99 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.2 t -90.61 -8.94 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.2 t80 -84.89 -54.52 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.65 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -3.23 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 86.8 mt -124.5 -2.82 7.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.5 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.486 ' C ' ' HG1' ' A' ' 43' ' ' THR . . . -135.79 4.42 3.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.486 ' HG1' ' C ' ' A' ' 42' ' ' GLY . 2.8 m -150.96 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 1.0 110.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -129.65 -46.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.306 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.21 5.03 11.15 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.691 -0.963 . . . . 1.0 110.691 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 29.7 m-80 -103.18 -50.53 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.858 0.361 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.84 40.16 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.46 -48.0 69.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.422 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.82 -71.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 7.2 mt -41.72 -31.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 78.9 t90 -77.92 -49.0 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.533 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -61.57 -44.92 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.364 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.4 t -64.22 -48.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-85 -48.87 -12.78 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 23.3 mtm180 -105.45 -19.97 13.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -99.48 -23.83 14.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.554 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -104.13 -15.32 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.01 -30.14 39.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 1.0 110.6 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -33.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 1.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.2 p-10 -91.58 -26.29 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.408 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.69 -15.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.485 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 14' ' ' ASP . 10.6 pt20 -101.93 -24.2 14.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.503 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' ASP . 20.1 t -74.18 -36.66 64.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.09 -24.79 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.13 -30.61 69.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -83.29 -6.25 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -95.65 -45.12 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.543 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 1.5 t -67.39 -23.01 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.598 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.98 -42.47 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -54.94 -59.46 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -50.87 -27.95 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -48.86 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.34 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -0.68 15.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.77 -9.82 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.642 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo . . . . . 0 N--CA 1.494 1.544 0 CA-C-O 120.776 0.24 . . . . 1.0 112.065 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.54 -68.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.35 -40.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.482 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -62.91 -59.1 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -55.3 36.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.544 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.88 -31.57 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.66 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.74 -19.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.484 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.5 t80 -79.72 -58.85 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 1.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.2 mt -99.05 -65.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.617 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.97 11.45 72.09 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.14 33.17 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.669 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -136.36 -50.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.15 -2.16 38.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -89.13 -49.6 6.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.7 -50.69 34.75 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.21 -48.38 68.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 1.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.13 -72.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -41.49 -30.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.612 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.6 t90 -77.34 -50.69 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.602 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -64.2 -44.74 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.99 -46.25 87.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.74 -14.84 9.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.39 9.64 23.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.745 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.29 -26.81 4.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -98.89 -38.8 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.68 -29.69 42.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.98 -28.1 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 1.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 4.3 m-20 -96.94 -27.33 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -26.3 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.83 -16.97 19.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.593 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 82.7 p -76.54 -40.2 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.593 ' N ' ' HG ' ' A' ' 17' ' ' SER . 5.1 pt-20 -50.1 -11.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.634 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.519 ' H ' ' C ' ' A' ' 17' ' ' SER . 17.6 t -71.82 -29.64 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.539 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.25 -22.74 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.15 -35.03 74.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -74.01 -21.28 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -91.4 -53.21 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -42.83 -49.05 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -57.47 -30.72 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ASP . 13.8 m -81.87 -48.58 11.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -0.65 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.91 6.62 82.75 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 -3.58 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.705 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo . . . . . 0 N--CA 1.495 1.588 0 CA-C-O 120.82 0.258 . . . . 1.0 111.985 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.43 -68.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -52.4 -48.06 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -60.58 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.515 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 mmt -59.02 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -49.08 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.65 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 36' ' ' MET . 50.3 t -115.32 -13.45 11.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.3 t80 -95.57 -15.52 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -112.17 2.08 16.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -103.86 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.103 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.56 9.26 58.8 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.092 -0.575 . . . . 1.0 111.829 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 31.14 4.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.891 0.377 . . . . 1.0 110.519 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -138.09 -47.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.341 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.56 -1.24 46.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.65 -50.38 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 1.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.68 -45.16 90.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.36 -48.8 79.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 1.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t -59.74 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -43.59 -30.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 81.1 t90 -77.54 -50.52 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -59.74 -43.95 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.496 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 55' ' ' ARG . 47.3 t -65.47 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.25 -12.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.569 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 26.6 mtm180 -104.08 -22.27 13.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.668 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.7 ptmt -93.98 -29.07 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -101.51 -12.78 18.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.519 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.65 -30.56 26.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 1.0 110.574 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.0 -27.69 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 1.0 110.593 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.38 -29.46 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -48.09 -28.96 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -80.09 -30.36 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 19' ' ' CYS . 39.7 t -70.5 -53.0 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.603 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -47.74 -14.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.468 ' H ' ' C ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.26 -32.53 18.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.585 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.0 mm-40 -92.31 -31.91 15.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 20.9 t80 -53.14 -32.71 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -18.73 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.3 m-20 -95.37 -57.03 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.8 -42.31 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.528 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -50.68 -36.82 37.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.591 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' ASP . 2.8 t -95.94 -34.4 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -87.53 13.58 9.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.21 -10.69 74.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.52 43.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 1.0 110.238 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.055 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.494 1.507 0 CA-C-O 120.869 0.279 . . . . 1.0 111.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.36 -69.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.47 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 34' ' ' ILE . 13.1 mt -58.15 -45.64 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.21 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -52.98 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.2 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -66.99 -57.91 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.66 -37.67 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 t -82.38 -29.99 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.016 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.5 t80 -71.63 -59.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.85 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -63.29 0.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.603 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 39' ' ' PHE . 3.1 mt -96.06 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.9 3.31 85.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.54 42.34 3.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 21.8 m -140.31 -55.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.98 -8.55 39.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -48.44 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.555 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.99 -46.53 65.67 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.4 tp -57.11 -49.06 77.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 1.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.16 -70.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.596 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -42.18 -30.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -77.66 -50.32 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.561 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -58.51 -42.97 88.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.423 ' C ' ' H ' ' A' ' 55' ' ' ARG . 35.6 t -62.9 -47.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -13.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.6 mtp85 -103.68 -14.83 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -102.41 -28.63 12.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -99.73 -29.95 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.14 -28.64 55.77 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.513 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.5 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 1.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.07 -29.38 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -28.23 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -99.7 -4.28 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.529 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 16.6 p -96.03 -36.09 11.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.529 ' N ' ' HG ' ' A' ' 17' ' ' SER . 44.0 mt-10 -54.51 -64.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.558 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -43.02 -29.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -92.26 -27.43 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.5 t80 -52.23 -30.91 29.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 p -76.22 -20.59 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -98.64 -60.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.607 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -41.56 -31.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.576 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.62 -37.38 56.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' ASP . 58.2 m -95.63 -2.53 48.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -136.17 -53.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.648 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -60.21 -1.08 1.4 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -102.93 -9.08 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 1.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.662 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.789 0.246 . . . . 1.0 111.993 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.437 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 mp -54.06 -36.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -57.44 8.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.94 -57.7 11.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.622 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.65 -28.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.517 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -98.07 -13.2 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 17.7 t80 -81.05 -48.27 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.577 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -2.08 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -125.63 -0.41 7.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.453 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.36 3.18 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.31 23.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 1.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -132.44 -48.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.33 -4.33 43.92 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.68 -53.28 4.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 1.0 110.59 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.602 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -62.67 -54.56 32.92 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.94 -51.27 24.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.302 . . . . 1.0 110.43 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.403 ' C ' ' N ' ' A' ' 51' ' ' TRP . 13.7 t -60.69 -72.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.66 -21.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.443 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.472 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.7 t90 -85.56 -44.07 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -66.43 -41.5 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 55' ' ' ARG . 38.0 t -62.54 -52.43 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -14.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.508 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.6 mtp85 -101.51 -20.68 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.607 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -94.61 -29.24 14.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.435 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 -13.91 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.505 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.54 -31.99 20.3 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.549 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.89 -27.57 2.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 1.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -95.35 -25.71 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.571 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -26.57 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.529 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -3.66 55.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -96.03 -48.9 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.83 -26.34 46.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -78.35 -29.72 47.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.604 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.34 -29.7 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -51.47 -38.6 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -68.23 -14.08 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -102.69 -46.63 4.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.53 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' GLY . 22.9 t90 -42.34 -52.05 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -49.69 -31.98 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ASP . 32.2 t -88.61 -49.27 6.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 m -84.54 15.17 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -126.78 37.03 2.5 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.7 -4.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 1.0 110.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.752 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 N--CA 1.494 1.52 0 CA-C-O 120.855 0.273 . . . . 1.0 112.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 34' ' ' ILE . 13.1 mt -51.64 -51.2 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.56 -56.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.186 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -52.51 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.389 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -49.89 -44.48 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.98 -14.58 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' THR . 38.1 t80 -80.67 -60.19 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 1.0 110.77 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -1.48 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.815 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.5 mt -122.95 -8.64 8.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.467 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 7.11 4.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -148.42 20.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 1.0 110.617 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -132.2 -47.85 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.21 -2.71 44.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.603 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.38 -50.67 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.708 0.29 . . . . 1.0 110.514 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.89 -47.37 83.64 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.92 -47.54 77.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 1.0 110.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.25 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mt -41.71 -30.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.0 t90 -76.3 -51.27 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.45 -43.95 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.527 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -58.37 -46.78 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.33 -14.57 7.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.92 5.51 20.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.808 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.4 -26.81 5.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -101.73 -31.47 10.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.31 -31.1 31.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 1.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.7 -27.1 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 1.0 110.624 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.22 -29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -52.61 -34.98 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -95.31 9.84 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.458 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' TYR . 12.3 t -104.41 -48.06 3.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -41.51 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 t -75.7 -39.21 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 mm-40 -104.73 0.54 28.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.0 t80 -63.19 -29.75 71.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 p -80.16 -12.67 59.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -107.39 -57.19 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.716 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.17 -35.74 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.776 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -51.74 -40.3 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ASP . 1.1 m -107.74 -17.97 13.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -104.03 10.28 36.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -83.11 -2.33 90.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.04 33.48 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 1.0 110.417 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo . . . . . 0 N--CA 1.494 1.538 0 CA-C-O 120.776 0.24 . . . . 1.0 111.988 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -67.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.639 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -59.55 -40.45 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.371 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -50.52 -49.78 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.359 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.1 mmt -61.18 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.582 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.76 -9.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' A' ' 36' ' ' MET . 42.3 t -116.12 -12.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' TYR . 85.7 t80 -94.51 -51.55 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.524 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.95 -12.04 60.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -85.81 -41.96 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.011 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -84.95 -56.16 2.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -46.02 -14.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 1.0 110.787 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m -108.51 -27.68 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -112.25 17.54 24.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -139.86 -45.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 1.0 110.456 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.41 -46.52 55.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.45 -49.17 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 1.0 110.206 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.74 -64.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.64 -29.95 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 75.2 t90 -75.55 -49.43 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.516 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.6 m -61.79 -51.75 67.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.292 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.0 t -51.11 -58.63 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.376 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -43.39 -48.57 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 2.3 mtp85 -75.24 -28.23 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.502 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.1 tptm -62.05 -58.69 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.623 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -82.43 -14.33 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.52 -30.17 41.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 1.0 110.638 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.97 -35.22 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 1.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.18 -31.22 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -48.37 -25.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -85.37 -37.49 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.5 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.581 ' HG ' ' H ' ' A' ' 18' ' ' GLU . 52.1 p -60.86 -53.02 62.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.525 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.581 ' H ' ' HG ' ' A' ' 17' ' ' SER . 4.4 pt-20 -59.2 -6.85 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.595 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.426 ' H ' ' C ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -102.66 -35.35 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.611 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.3 -25.75 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -51.95 -37.84 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.582 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -21.75 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -96.03 -57.6 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.6 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -41.94 -46.94 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -54.35 -32.14 56.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t -89.92 -48.49 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -79.84 10.26 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -90.47 9.84 76.31 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.32 19.8 19.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 1.0 110.643 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.893 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 N--CA 1.493 1.463 0 CA-C-O 120.876 0.282 . . . . 1.0 112.082 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.86 -40.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -62.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.467 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.8 mmt -57.31 -54.76 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.499 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.8 -31.73 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.547 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 54.1 t -95.16 -10.26 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.8 t80 -88.04 -57.9 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 0.57 4.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.27 -26.61 3.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.395 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.01 -2.28 48.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.19 28.86 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 1.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -135.2 -50.09 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.57 -9.57 43.38 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.525 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.6 -47.37 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 1.0 110.537 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.24 -48.97 49.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.39 -47.27 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 1.0 110.379 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' TRP . 15.7 t -60.8 -72.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -41.3 -27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.0 t90 -81.61 -48.94 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -66.43 -43.77 84.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.546 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.5 t -59.62 -46.77 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.791 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -55.65 -23.83 30.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.685 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.2 mtm-85 -97.94 3.59 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -23.48 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.914 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -33.28 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.173 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -30.14 45.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 1.0 110.634 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.01 -28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.604 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 -19.98 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -57.65 -21.58 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -99.99 1.83 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -98.35 -48.39 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.572 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.64 -17.85 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.2 -30.32 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.614 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -91.26 -28.3 17.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 33.0 t80 -52.21 -31.4 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 p -82.91 -12.24 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.91 -44.64 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -56.86 -48.17 78.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.595 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -55.35 -20.55 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -96.14 -48.97 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.662 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.76 32.1 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.689 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.28 12.86 3.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.06 -18.23 11.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 1.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.052 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.493 1.5 0 CA-C-O 120.813 0.255 . . . . 1.0 112.045 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.652 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -48.77 -43.25 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.449 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -61.66 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.62 -57.92 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -33.29 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.4 t -93.28 -12.6 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' MET . 20.8 t80 -80.62 -49.98 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -2.65 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.701 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 89.6 mt -125.46 0.1 7.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.487 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 7.88 4.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -149.94 18.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.714 0.292 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -128.39 -48.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.09 -7.8 32.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.674 -0.97 . . . . 1.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 13.1 m-80 -104.82 -32.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 1.0 110.518 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.43 6.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.93 -48.95 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.772 0.32 . . . . 1.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 t -61.41 -69.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -45.83 -26.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.628 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.2 t90 -81.32 -48.48 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -65.7 -43.78 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.0 -46.8 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.96 -14.55 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.587 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.628 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.7 4.15 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -120.02 -27.77 5.28 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.831 0.348 . . . . 1.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -37.24 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.595 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.38 -30.54 36.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 1.0 110.607 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.47 -25.45 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.304 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.62 -17.72 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -50.09 -21.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -89.98 -43.32 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' TYR . 31.7 t -55.79 -45.15 78.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.0 -28.88 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -34.35 28.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.62 -5.7 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' SER . 20.7 t80 -71.34 -44.0 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.607 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -67.14 -17.92 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.3 t0 -97.08 -50.06 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -43.72 -46.25 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.53 -31.89 48.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -90.49 -47.01 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.605 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -84.34 12.97 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.94 4.17 86.22 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 1.87 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 1.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.638 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 N--CA 1.495 1.568 0 CA-C-O 120.876 0.282 . . . . 1.0 112.08 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.48 -67.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 34' ' ' ILE . 20.6 mt -56.38 -46.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -41.34 -52.61 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.57 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -50.84 -47.34 60.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.638 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.445 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 39.1 t -73.21 -9.3 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -97.71 -33.73 11.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.678 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.426 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -104.29 -39.49 6.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -80.47 -39.17 28.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 1.0 110.148 179.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -74.98 -52.99 6.49 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 2.0 m -64.19 2.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.652 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 42' ' ' GLY . 54.3 m -118.26 -33.05 4.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.575 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.52 -22.19 22.28 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -95.94 -53.1 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.81 81.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.62 -49.96 74.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 1.0 110.383 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -60.32 -69.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.8 -28.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.478 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.4 t90 -77.74 -48.72 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -62.45 -47.54 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 55' ' ' ARG . 78.5 t -58.77 -53.64 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.531 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.4 -11.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.519 ' H ' ' C ' ' A' ' 53' ' ' VAL . 5.6 mtp85 -108.46 -17.33 14.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.799 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -100.79 -25.49 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 1.0 110.523 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -104.54 -25.48 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.93 -28.94 53.4 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.8 -27.61 17.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.747 0.308 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLN . 14.5 m-20 -108.73 -16.89 14.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -17.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' ASP . 6.7 pt20 -82.19 -30.1 31.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.8 p -78.72 -41.93 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.3 -39.2 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -32.46 73.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.0 mm-40 -91.97 -24.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.6 t80 -52.98 -39.0 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -68.45 -18.77 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.632 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -95.43 -47.04 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -45.78 -54.17 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.599 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -52.56 -23.54 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.608 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -91.93 -50.72 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.609 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -85.85 11.28 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.84 6.72 77.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.37 1.54 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.293 . . . . 1.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.68 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.786 0.244 . . . . 1.0 112.093 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.63 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.99 -54.54 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.211 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -41.99 -63.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -64.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.803 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.32 -25.26 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.009 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 91.2 t -105.99 7.76 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.88 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.8 t80 -115.12 -22.92 9.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.02 1.27 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.69 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.32 -62.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.368 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.05 9.64 58.11 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.997 -0.62 . . . . 1.0 112.06 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 29.7 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.944 0.402 . . . . 1.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -135.2 -48.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.256 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.11 -0.15 38.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.25 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 1.0 110.633 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.13 67.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.77 -51.18 71.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 t -59.77 -68.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -45.59 -27.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.2 t90 -79.98 -48.19 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.644 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -65.07 -39.8 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.66 -46.09 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -14.38 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.96 3.51 18.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.96 -27.45 5.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.317 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -101.67 -33.08 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.15 -30.11 38.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 1.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.71 -29.95 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 27.1 p30 -92.05 -24.49 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.536 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 33.0 m-20 -56.49 -21.24 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.63 -28.67 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.545 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 83.6 p -71.86 -55.12 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.94 -24.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 m -84.37 -32.06 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.5 mm-40 -89.17 -17.49 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.536 ' HH ' ' HZ2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -76.36 -43.6 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.558 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.532 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 t -69.05 -16.85 63.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -102.92 -42.57 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.3 t90 -46.97 -44.23 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HZ2' ' HH ' ' A' ' 21' ' ' TYR . 1.6 mmtt -49.31 -40.17 33.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.428 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.562 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.19 4.12 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.43 -8.85 80.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.53 43.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 1.0 110.314 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.076 -179.901 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo . . . . . 0 N--CA 1.495 1.584 0 CA-C-O 120.793 0.247 . . . . 1.0 112.017 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.75 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.25 -40.01 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -61.61 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.507 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -61.36 -54.42 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -29.92 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.528 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.07 -24.63 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.474 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.7 t80 -75.47 -58.77 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.634 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.07 0.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.9 mt -97.74 -59.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.65 9.99 66.55 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.28 32.37 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 1.0 110.54 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -136.1 -52.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.37 -12.46 41.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.607 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -76.99 -53.62 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.848 0.356 . . . . 1.0 110.589 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.607 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -61.1 -53.9 41.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 tp -49.65 -50.6 42.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -60.91 -73.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.495 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -44.35 -25.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.3 t90 -80.98 -46.66 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.12 -40.9 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.446 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.25 -42.22 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -14.45 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -109.99 -13.71 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.757 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -29.24 12.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.823 0.344 . . . . 1.0 110.32 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -101.56 -25.72 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.96 -30.08 44.25 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.853 0.359 . . . . 1.0 110.554 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.59 -35.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -75.82 -35.71 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -28.88 64.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -96.91 -12.06 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -89.06 -46.24 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.86 -20.6 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -34.42 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.32 -18.41 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 25.0 t80 -58.09 -37.07 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -72.25 -12.56 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -47.03 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -47.46 -49.8 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -47.82 -32.03 5.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -91.18 -45.98 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -76.73 4.56 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.585 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.95 -7.87 80.12 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.7 43.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 1.0 110.241 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.02 -179.867 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.495 1.561 0 CA-C-O 120.801 0.25 . . . . 1.0 111.992 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.27 -41.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.5 mmt -60.39 -55.41 33.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.557 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.17 -29.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.7 t -96.85 -13.64 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.7 t80 -82.38 -55.63 4.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -2.81 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 89.2 mt -124.63 -5.01 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.47 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.25 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -152.55 26.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.95 -46.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.05 5.26 10.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 12.3 m-80 -103.39 -50.53 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 1.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.45 -47.05 72.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.53 -48.39 74.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.35 -71.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mt -41.5 -29.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 76.7 t90 -79.0 -50.83 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -59.42 -44.78 92.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 t -57.57 -51.72 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -25.62 10.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.525 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -91.93 -15.51 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -101.07 -20.84 15.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -11.44 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.294 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.72 -33.83 23.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 6.1 p-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 1.0 110.325 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.3 -26.91 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 1.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -91.29 -31.61 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -52.69 -28.39 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.567 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -91.51 -17.36 25.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -88.18 -39.65 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -48.38 -22.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.69 -33.93 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -92.08 -28.88 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.542 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -51.74 -30.12 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.4 p -81.74 -14.65 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.8 -53.52 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -40.16 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -57.38 -28.74 63.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 m -99.23 -33.82 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -90.67 12.77 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.54 8.48 79.74 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 21.27 17.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.688 0.28 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.942 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.495 1.584 0 CA-C-O 120.789 0.246 . . . . 1.0 112.0 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.32 -63.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -50.69 -53.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.209 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -44.53 -52.15 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.414 179.795 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.85 -61.7 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.606 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.49 -5.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 54.6 t -121.25 -6.48 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.632 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' TYR . 79.2 t80 -106.33 -17.19 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.796 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -117.47 -16.03 10.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.88 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -113.46 -42.92 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.874 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.49 -0.41 82.19 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -135.34 23.01 3.46 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.777 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 16.8 m -130.68 -48.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.337 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.98 -4.04 41.98 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 1.7 m-80 -100.72 -57.74 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.64 -43.71 59.58 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 1.0 110.264 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t -60.46 -67.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.479 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 78.3 mt -45.91 -28.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -78.99 -48.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.8 m -62.79 -43.86 97.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 55' ' ' ARG . 70.0 t -64.4 -50.11 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.53 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.1 m-85 -49.3 -12.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.494 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.3 mtp85 -103.95 -21.81 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 ptmm? -94.5 -29.38 14.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -100.78 -13.47 18.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.72 -32.56 24.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 1.0 110.536 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.159 -0.776 . . . . 1.0 111.159 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.23 -20.6 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 1.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -101.5 -20.22 15.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.508 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.99 -32.74 73.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -101.49 3.03 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' TYR . 3.4 p -101.81 -37.4 8.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.78 -26.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 t -92.06 -28.82 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ASP . 32.8 tt0 -91.62 -9.52 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.23 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.5 t80 -47.04 -35.65 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 p -74.49 -21.61 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.978 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -103.73 -57.22 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.115 -179.546 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.35 -40.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.197 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 27.5 tttt -45.48 -38.72 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 1.0 110.574 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.6 t -109.11 -37.23 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 25.3 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.711 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -125.4 28.63 4.99 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.724 -0.95 . . . . 1.0 110.724 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.34 15.32 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.722 0.296 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.495 1.572 0 CA-C-O 120.779 0.241 . . . . 1.0 112.092 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.93 -70.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.07 -46.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -42.43 -56.09 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.003 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.6 mmt -55.19 -58.31 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.215 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.65 -41.55 22.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.294 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.31 -22.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.031 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.3 t80 -78.25 -59.49 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 1.0 110.704 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.2 0.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.6 mt -95.33 -74.01 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.3 13.66 64.52 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.451 -0.659 . . . . 1.0 111.451 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.7 26.64 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 1.0 110.571 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -129.44 -50.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.2 2.62 29.78 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -118.82 -66.24 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.851 0.357 . . . . 1.0 110.523 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -59.68 -51.27 60.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp -49.96 -46.94 52.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.678 0.275 . . . . 1.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.47 -61.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.34 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.51 -23.3 57.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.6 t90 -84.04 -40.02 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -74.5 -49.0 23.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -56.09 -35.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.517 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.78 -15.06 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.545 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 1.5 mtp85 -106.22 6.07 30.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.717 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -115.28 -24.81 8.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.317 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HZ3' ' HZ1' ' A' ' 56' ' ' LYS . 26.8 mttp -100.48 -30.66 11.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.5 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.48 -36.55 7.98 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 1.0 110.542 -179.963 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.98 -23.13 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.528 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -109.4 -14.11 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.11 -21.82 48.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.91 -12.62 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 19' ' ' CYS . 17.6 p -95.18 -39.87 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.64 -5.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.503 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.3 t -100.94 -39.6 7.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.94 -13.97 37.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -69.41 -42.14 75.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.411 ' H ' ' HG1' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.11 13.06 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 21' ' ' TYR . 31.9 m-20 -137.15 -35.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.542 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.93 -35.65 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.543 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -52.65 -36.62 57.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -43.5 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.563 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 m -87.31 21.13 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.44 -4.39 87.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.16 31.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 1.0 110.564 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 179.965 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.83 0.263 . . . . 1.0 112.099 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.9 -67.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.74 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.19 -45.82 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -52.31 -61.31 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.52 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.38 -59.09 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.586 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -48.18 -27.86 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.03 -19.02 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' A' ' 41' ' ' LEU . 15.5 t80 -83.37 -56.88 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -65.54 0.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.0 mt -98.32 -60.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.79 3.9 83.27 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 36.69 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 50.9 m -136.32 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 -23.38 10.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 1.0 110.502 179.883 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.51 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.68 -51.15 31.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.24 -43.86 83.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 1.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 t -59.83 -60.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.318 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.73 -27.03 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.9 t90 -79.3 -48.2 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.672 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.16 -42.4 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' LYS . 59.0 t -59.9 -43.19 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -35.64 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.631 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.0 mtm-85 -84.42 -6.74 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.671 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -18.15 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 1.0 109.904 179.601 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -108.31 -34.29 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.36 65.37 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.674 -179.94 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.99 -27.96 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.31 -28.02 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -27.21 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 6.5 pt20 -95.52 -16.19 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLU . 54.4 p -79.19 -39.79 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.579 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -45.6 -39.33 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.51 -30.41 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.539 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 5.5 mp0 -90.76 -26.16 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.525 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -59.29 -25.27 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -88.85 -49.07 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.1 t90 -41.66 -57.26 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 15.0 tttp -47.3 -28.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -90.41 -49.04 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.3 3.29 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.64 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.1 -7.55 80.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.59 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 1.0 110.296 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.009 -179.883 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.802 0.251 . . . . 1.0 111.989 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -67.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.92 -40.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.57 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -58.39 -55.64 32.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -46.92 -33.11 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.06 -12.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' MET . 11.3 t80 -82.31 -53.7 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -0.93 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.725 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 92.2 mt -126.07 -4.36 6.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.447 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.82 6.76 6.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 11.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 1.0 110.646 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -122.12 -34.73 3.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.55 23.93 4.2 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 14.0 m-80 -135.87 -44.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 1.0 110.485 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.98 37.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.79 -50.83 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 1.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.73 -68.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -44.28 -29.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.515 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -79.79 -45.14 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.3 m -66.38 -45.86 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.67 -46.15 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -18.67 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.506 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -96.29 -10.06 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 -28.61 10.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.301 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -23.0 22.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.49 -28.27 57.86 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.77 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.816 0.341 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 30.6 p30 -95.5 -27.6 15.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 3.2 m-80 -51.6 -26.95 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.8 pt20 -92.58 -38.16 12.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 7.0 p -61.26 -39.11 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 8.8 mt-10 -41.38 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -41.07 -26.92 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.576 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -86.38 -35.28 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' GLU . 22.0 t80 -51.58 -31.91 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.577 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -77.73 -18.3 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 -54.99 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -47.99 5.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -48.8 -32.13 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.665 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -94.56 -42.43 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -76.0 5.62 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.6 -9.87 77.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.44 43.3 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 1.0 110.332 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.923 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.836 0.265 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.62 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.554 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.97 -54.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.243 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -42.28 -64.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.253 179.723 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -64.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -25.65 10.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.929 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.476 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 83.7 t -106.13 7.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.035 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.4 t80 -113.93 -25.24 8.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.99 1.93 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.643 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -101.64 -61.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.85 7.35 57.38 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 121.047 -0.597 . . . . 1.0 112.034 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 28.46 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -136.52 -46.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.55 -6.11 53.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -87.46 -48.98 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.33 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.598 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.62 -51.82 44.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -51.64 -51.2 57.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 t -59.93 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.69 -29.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -76.84 -47.37 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.6 m -61.92 -52.12 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.462 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' LYS . 7.1 t -51.77 -52.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.0 -30.84 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 1.0 110.244 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' HE ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -80.78 -18.43 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.258 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -102.96 -18.07 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.437 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -108.71 -13.09 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.03 -31.57 25.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 1.0 110.562 -179.981 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.27 -28.06 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 1.0 110.574 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.26 -23.73 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -58.55 -29.27 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -103.08 24.04 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -128.6 -39.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -55.47 -20.7 13.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.607 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.5 m -86.08 -31.93 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 33.2 tt0 -92.0 -19.71 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -50.63 -33.26 21.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -79.75 -15.21 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -98.79 -54.83 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.21 -45.16 5.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.721 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -47.47 -33.09 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -99.34 -43.21 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -94.34 31.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.538 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.64 23.78 4.44 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.75 13.21 5.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 1.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.713 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 N--CA 1.486 1.042 0 CA-C-O 120.799 0.25 . . . . 1.0 112.135 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.04 -61.74 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.446 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.22 -48.25 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.301 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.64 -46.05 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.094 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.457 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -70.96 -58.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.539 179.688 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -47.39 -36.28 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.61 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 t -82.38 -31.06 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.993 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.489 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.1 t80 -70.39 -60.02 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.818 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.87 0.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.709 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.3 mt -94.25 -69.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.48 7.97 80.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -129.49 34.53 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 1.0 110.541 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 m -137.33 -51.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.405 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.48 -11.13 39.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.588 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.98 -54.5 5.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 1.0 110.533 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.588 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.01 -49.22 77.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 tp -54.86 -51.65 65.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 1.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 t -58.97 -70.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.481 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -45.36 -29.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.372 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 77.4 t90 -78.49 -44.17 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -69.47 -55.5 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.261 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -48.41 -48.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.353 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -53.86 -53.7 48.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.31 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.611 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 3.8 mtp85 -68.06 -20.3 64.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.163 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -76.14 -53.25 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.382 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.94 -18.92 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.88 -31.03 45.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.09 -22.1 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.325 . . . . 1.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -109.07 -16.1 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -56.15 -24.78 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.513 HE21 ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -79.92 -23.29 41.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.631 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -82.51 -53.12 6.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.604 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 15' ' ' ASN . 59.7 m -74.36 -33.37 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.575 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' SER . 9.2 mt-10 -96.85 -13.72 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -56.12 -33.69 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -74.96 -16.56 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -50.02 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -43.61 -52.23 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.537 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -47.14 -27.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -45.84 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 m -82.94 13.27 4.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -87.12 -8.07 76.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 1.0 110.183 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.047 -179.781 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo . . . . . 0 N--CA 1.495 1.567 0 CA-C-O 120.813 0.256 . . . . 1.0 111.976 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -67.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -59.68 -28.4 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.395 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -69.6 -48.58 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.551 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -48.76 -62.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.64 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.4 -40.52 50.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.52 -5.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.637 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -100.91 -29.73 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.729 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -97.08 -16.74 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.997 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -107.08 -29.62 9.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.833 0.349 . . . . 1.0 110.284 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.34 -1.64 60.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.98 26.49 3.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 1.0 110.772 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 53.3 m -133.18 -48.74 0.85 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.45 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.47 -2.52 43.99 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -94.46 -51.78 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.662 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.23 -45.92 94.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.77 -47.6 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.324 . . . . 1.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 t -61.39 -70.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -41.75 -31.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.4 t90 -75.29 -50.92 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -63.52 -40.65 97.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.2 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.682 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -14.73 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.6 5.83 21.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.89 -28.41 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.33 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -100.93 -32.23 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.93 -30.48 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 1.0 110.568 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.38 -26.44 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 1.0 110.685 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 20.0 p-10 -93.04 -32.86 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -47.02 -31.89 3.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -85.54 -35.38 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' TYR . 9.5 p -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.3 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.612 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.0 m -51.56 -29.42 17.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.645 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 3.9 tt0 -99.45 19.0 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' SER . 47.6 t80 -86.77 -39.4 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.376 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -68.75 -12.96 62.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.75 -47.88 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.34 -46.24 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.926 -179.688 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.6 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 17.9 ttpt -45.94 -35.8 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.626 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -100.88 -42.43 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.769 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 p -96.44 32.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.584 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.52 28.74 2.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.78 9.65 3.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 1.0 110.606 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.762 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 N--CA 1.495 1.604 0 CA-C-O 120.797 0.249 . . . . 1.0 112.254 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.89 -66.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.617 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -40.12 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.155 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -50.9 -56.24 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.688 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 mmt -46.09 -61.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.654 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.83 -31.06 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.82 -6.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.498 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 16.9 t80 -90.62 -59.0 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -5.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.752 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.1 mt -123.6 -5.98 8.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.545 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -138.75 17.29 3.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 43' ' ' THR . 88.1 m -158.26 19.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.593 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.3 -49.24 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.085 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.56 -2.21 30.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.562 -1.015 . . . . 1.0 110.562 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.6 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.55 -54.04 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 1.0 110.512 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.6 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.66 -57.56 12.3 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -45.69 -48.3 15.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.675 0.274 . . . . 1.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -62.67 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.543 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.79 -21.41 7.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.507 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.474 ' N ' ' O ' ' A' ' 47' ' ' GLY . 77.2 t90 -83.99 -43.78 14.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.462 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -70.3 -49.55 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.66 -43.6 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.73 -16.19 37.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -104.69 -5.82 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.714 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -27.17 10.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.446 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -102.65 -29.23 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.599 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.26 -29.06 34.6 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 -179.807 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.7 -29.24 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.57 -27.94 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.529 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -24.47 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -101.31 -15.96 17.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.615 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' TYR . 6.9 t -83.04 -38.02 23.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' TYR . 56.1 mt-10 -56.03 -67.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.502 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -42.27 -29.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.0 -27.43 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.3 t80 -50.91 -30.03 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -81.89 -16.8 49.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -98.53 -54.12 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.575 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -44.49 -42.69 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.615 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -48.85 -31.58 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -102.08 -42.6 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.66 30.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -129.24 25.01 4.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.32 17.34 3.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.666 0.27 . . . . 1.0 110.547 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 120.768 0.237 . . . . 1.0 112.039 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.89 -69.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.74 -43.01 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.098 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -56.82 -63.27 1.26 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.383 179.82 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -43.88 -57.8 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.536 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 tp -49.52 -43.69 45.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.459 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 97.3 t -86.09 0.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.819 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.6 t80 -98.45 -32.36 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.423 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -89.8 -25.58 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.693 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -105.57 -30.46 9.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.44 -0.2 79.89 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.97 17.85 3.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.614 0.245 . . . . 1.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 46.5 m -129.07 -44.14 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.572 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.33 -1.44 47.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -99.2 -48.29 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 1.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.87 -51.29 35.67 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.39 -49.04 62.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.308 . . . . 1.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 t -59.7 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.605 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -41.91 -31.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -77.05 -50.9 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 55' ' ' ARG . 29.5 t -61.91 -51.63 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -50.07 -10.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.2 mtp85 -107.79 -18.43 13.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.797 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.14 -27.65 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.394 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -102.62 -26.09 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.19 -29.3 50.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 1.0 110.624 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 -22.87 12.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 1.0 110.323 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -103.3 -17.38 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.225 179.801 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.06 -29.29 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.511 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 9.43 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' TYR . 21.0 p -122.49 -52.37 1.93 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.516 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 17' ' ' SER . 4.8 pt-20 -57.07 -25.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.523 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t -85.6 -34.95 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.695 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mm-40 -94.09 -2.93 52.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.239 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' SER . 30.9 t80 -48.15 -30.75 4.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.75 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.6 p -78.57 -22.36 47.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.661 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -101.83 -57.64 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.77 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -39.95 -42.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.835 -179.867 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 10.7 ttpt -49.91 -37.61 32.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.7 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 74.2 m -98.26 -42.27 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -102.92 48.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.6 3.63 3.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.72 34.05 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 1.0 110.316 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.033 -179.928 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.495 1.574 0 CA-C-O 120.803 0.251 . . . . 1.0 112.038 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -69.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 mt -57.81 -47.66 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.144 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -55.84 3.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.13 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -63.16 -51.14 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.371 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tp -49.74 -39.82 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.383 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.6 -20.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.956 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -77.67 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.761 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.03 -9.08 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mt -81.64 -59.01 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -68.82 -55.0 12.02 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 43' ' ' THR . 12.9 m -47.79 -12.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.669 -0.312 . . . . 1.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.528 ' H ' ' C ' ' A' ' 42' ' ' GLY . 3.3 m -109.69 -26.61 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -114.96 17.01 17.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -139.86 -46.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.35 -179.926 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.578 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -67.86 -50.84 38.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.22 -52.62 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 1.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 t -60.52 -68.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.468 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.1 mt -49.53 -24.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.422 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' GLY . 74.7 t90 -79.81 -41.02 27.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.457 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -69.36 -49.5 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.42 -45.71 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.488 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -21.57 15.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 7.3 mtp85 -96.96 -5.35 38.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.695 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 -19.84 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -23.36 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.385 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.93 -27.86 59.75 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 1.0 110.538 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.477 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.97 -22.68 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.761 0.315 . . . . 1.0 110.438 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.01 -16.01 16.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.21 -27.82 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.71 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -92.04 -32.03 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' TYR . 37.1 m -80.16 -36.38 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' TYR . 5.4 mt-10 -41.61 -71.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -43.05 -36.33 1.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.73 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.34 34.73 3.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.773 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.9 t80 -98.49 -44.39 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.311 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -66.43 -11.35 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.93 -52.3 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.589 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -40.68 -42.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.783 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -46.84 -37.4 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -13.95 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ASP . 19.9 m -111.21 20.21 17.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.9 -10.3 75.89 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.72 41.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.0 110.323 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.952 -179.834 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.494 1.538 0 CA-C-O 120.786 0.244 . . . . 1.0 111.938 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mm -52.09 -52.86 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.366 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -41.69 -55.24 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.26 179.885 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -53.29 -65.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.695 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.96 -179.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 99.5 t -116.07 8.62 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' TYR . 75.7 t80 -122.7 -16.83 7.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.014 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.64 0.48 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.692 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.13 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.98 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.96 4.53 65.59 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.104 -0.57 . . . . 1.0 111.689 -179.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.31 31.53 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.844 0.354 . . . . 1.0 110.64 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -131.84 -42.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.24 179.704 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.0 17.59 5.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -123.37 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.344 . . . . 1.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.72 -49.41 76.52 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 tp -49.98 -51.71 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.2 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -46.83 -27.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -78.77 -45.38 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' LYS . 15.5 m -66.66 -51.54 54.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -53.69 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.42 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -49.06 -46.17 44.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.462 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.609 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -77.04 -26.78 54.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.494 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.6 tptm -63.27 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -84.33 -13.55 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.23 -30.45 37.5 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.509 0 N-CA-C 110.51 -1.036 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.18 -22.12 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 1.0 110.355 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -107.11 -17.75 14.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.84 -27.33 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -87.11 -5.99 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 52.7 p -91.55 -60.13 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.598 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OG ' ' A' ' 17' ' ' SER . 8.5 mt-10 -45.62 -52.44 10.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -54.81 -30.08 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -91.77 -11.72 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.16 -61.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 p -53.69 -16.47 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -48.03 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.29 -48.74 9.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.568 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -48.01 -28.78 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.57 -41.22 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 m -78.27 6.05 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -88.45 3.82 85.25 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.75 37.5 2.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 1.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo . . . . . 0 N--CA 1.494 1.517 0 CA-C-O 120.82 0.258 . . . . 1.0 112.049 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.61 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.93 -55.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -49.22 4.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.35 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.0 mmt -69.34 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.605 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.94 -14.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.707 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' MET . 24.1 t -104.38 -21.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.678 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' MET . 71.6 t80 -95.64 -12.21 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.778 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 4.3 pp -103.9 -6.18 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 1.0 110.203 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.7 -46.47 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.47 2.82 59.23 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.1 -0.572 . . . . 1.0 111.711 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -131.5 27.2 4.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 1.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 36.1 m -131.16 -48.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.11 -5.86 32.46 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -101.69 -56.23 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 1.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.63 -45.44 93.26 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.53 -48.57 78.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 1.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 t -60.78 -70.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.7 mt -42.59 -30.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.3 t90 -76.07 -50.64 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.87 -41.6 97.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.476 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.38 -45.68 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.696 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -14.7 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.619 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.67 5.52 21.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -27.16 5.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.324 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -34.71 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.07 39.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.0 110.573 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.68 -27.81 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 1.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.6 -24.41 17.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -25.44 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -91.69 -26.05 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -50.56 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -48.33 -27.63 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -92.49 -17.06 25.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 28.2 t80 -69.23 -48.22 62.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.514 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -59.61 -15.22 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -47.87 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.7 t90 -44.68 -41.85 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -49.97 -36.09 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -43.89 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -69.83 -11.08 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.602 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -82.74 5.63 73.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.95 -3.87 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 1.0 110.617 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.725 179.998 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo . . . . . 0 N--CA 1.494 1.534 0 CA-C-O 120.804 0.252 . . . . 1.0 111.986 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.49 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.549 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.6 -42.98 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -57.75 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.552 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -48.78 -26.66 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.667 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.32 -21.6 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.601 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.5 t80 -79.85 -58.07 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.38 1.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.0 mt -99.46 -65.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.91 11.78 71.34 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.106 -0.798 . . . . 1.0 111.106 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.82 31.71 3.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.833 0.349 . . . . 1.0 110.553 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -135.07 -50.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.427 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.97 -12.44 31.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.614 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.73 -54.15 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 1.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.614 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.69 -47.31 90.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.28 -45.32 91.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.734 0.302 . . . . 1.0 110.413 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 t -64.17 -69.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -41.73 -33.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.264 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 79.7 t90 -70.61 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.794 179.545 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -53.45 -50.77 64.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.367 179.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.51 -45.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -31.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 1.1 mmt180 -91.63 -30.39 16.37 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.223 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -59.3 -57.87 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -81.93 -25.05 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.83 -25.83 72.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m170 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 1.0 110.514 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.11 -27.15 17.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 1.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.37 -12.41 14.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -13.58 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.79 -10.53 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.628 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -98.02 -51.15 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.63 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -48.91 -12.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -86.37 -35.65 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.24 -37.71 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.4 t80 -51.03 -33.57 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.05 13.26 4.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' SER . 10.5 m-20 -136.18 -29.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.412 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.11 -53.43 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.353 179.846 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 14.5 ttpt -47.87 -37.34 13.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.989 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.603 ' HG ' ' CA ' ' A' ' 29' ' ' ALA . 29.4 t -101.19 -8.63 22.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.139 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ASP . 23.0 t 51.78 50.93 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.057 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.9 -4.07 54.56 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.603 ' CA ' ' HG ' ' A' ' 26' ' ' SER . . . 59.57 16.06 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 -179.258 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.068 -179.598 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.493 1.474 0 CA-C-O 120.88 0.283 . . . . 1.0 112.009 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -71.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.65 -45.83 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.3 mmt -56.66 -55.51 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -48.04 -30.17 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 42.9 t -96.81 -9.95 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.707 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' MET . 15.6 t80 -89.02 -57.56 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.636 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 1.02 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.696 -179.842 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 95.7 mt -124.85 -28.57 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.36 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.55 0.42 58.18 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -135.07 17.58 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.691 0.282 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -127.71 -46.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.221 179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.43 17.92 23.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 41.3 m-80 -133.82 -62.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 1.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.87 62.34 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.05 -52.93 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.778 0.323 . . . . 1.0 110.327 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.03 -60.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.527 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.54 -23.7 28.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.2 t90 -82.64 -44.79 15.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -71.72 -47.57 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.473 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.92 -35.06 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.29 -17.69 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.3 mtm-85 -107.18 -4.24 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.741 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -29.09 10.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -101.54 -25.69 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.03 -32.92 25.03 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.513 ' ND1' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 110.644 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.08 -31.24 5.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.4 p-10 -96.35 -27.45 14.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.621 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.37 -21.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 14' ' ' ASP . 8.6 pt20 -90.96 -25.87 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ASP . 8.9 t -71.42 -43.06 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.09 -15.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' N ' ' C ' ' A' ' 17' ' ' SER . 74.1 m -68.54 -27.29 65.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.606 -179.861 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.9 mm-40 -91.2 -6.59 53.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 35.3 t80 -49.21 -28.73 4.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.68 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.4 ' H ' ' HG1' ' A' ' 22' ' ' THR . 1.4 p -80.54 -20.84 42.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.707 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.0 m-20 -105.74 -57.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -37.98 -33.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.139 -179.904 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 32.6 tttm -50.07 -42.15 49.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.586 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -111.36 -35.3 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -108.84 48.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' O ' ' CD ' ' A' ' 32' ' ' PRO . . . -129.3 -5.64 4.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.51 26.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 1.0 110.522 179.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.286 -179.937 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' CD ' ' O ' ' A' ' 28' ' ' GLY . 87.9 Cg_exo . . . . . 0 N--CA 1.493 1.457 0 CA-C-O 120.714 0.214 . . . . 1.0 112.304 . . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -64.94 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.305 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -66.27 -26.24 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.192 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -68.92 -56.86 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.313 179.811 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.41 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.62 -61.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.29 -38.82 54.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.434 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 91.3 t -88.65 2.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' TYR . 36.3 t80 -97.29 -55.76 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.568 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.3 OUTLIER -72.75 -5.74 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 83.3 mt -123.45 -12.29 7.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.549 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.73 -6.22 6.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 3.0 m -136.68 32.04 2.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -128.93 -47.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.063 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.36 15.41 6.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.346 -1.102 . . . . 1.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 44.5 m-80 -123.72 -59.47 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 1.0 110.592 -179.793 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 -49.96 67.83 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.48 -50.17 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 1.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 t -60.96 -70.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.2 mt -44.11 -27.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.464 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.54 -48.21 13.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.561 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.08 -43.05 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.7 t -59.89 -46.5 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.9 -16.02 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mtm-85 -107.93 4.75 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.709 -179.76 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 -25.53 5.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 033 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -103.39 -23.95 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.41 -29.71 48.26 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 1.0 110.536 -179.936 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.75 -30.0 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 1.0 110.315 179.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.1 m-20 -101.78 -24.31 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -48.59 -20.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.14 -26.01 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.0 p -70.74 -40.42 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.527 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -42.05 -24.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -82.67 -36.76 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.9 mm-40 -99.32 2.29 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.6 t80 -75.44 -66.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p -49.15 -21.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -48.05 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.512 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -45.44 -50.46 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -47.3 -25.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.578 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -101.76 -45.26 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -87.77 22.8 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.41 33.83 2.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.05 3.77 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 1.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.494 1.527 0 CA-C-O 120.801 0.25 . . . . 1.0 112.08 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.95 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . 0.424 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -50.51 -52.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -41.51 -58.05 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.427 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -51.21 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.637 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.48 -13.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.654 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.469 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 93.6 t -116.91 5.39 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.645 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 52.1 t80 -119.04 -13.62 9.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.758 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.1 pp -122.14 -18.14 6.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.426 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -112.06 -45.82 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.736 179.85 . . . . . . . . 3 3 . 1 . 034 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.66 -0.98 85.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.478 ' CG2' ' O ' ' A' ' 43' ' ' THR . 85.0 m -131.31 19.96 4.83 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.768 0.318 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 91.9 m -125.23 -37.1 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.454 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.26 23.03 4.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -135.26 -43.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 1.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -43.07 39.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.27 -49.58 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' TRP . 16.2 t -60.67 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -42.14 -26.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.636 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.0 t90 -83.46 -47.94 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.629 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.46 -43.98 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.51 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.9 -48.66 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.671 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.24 -16.73 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.636 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.8 mtm-85 -103.84 -9.65 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.646 -179.841 . . . . . . . . 2 2 . 1 . 034 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -105.81 -24.27 12.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.114 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -97.74 -19.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.707 179.36 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.42 -47.18 92.13 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 109.81 -1.316 . . . . 1.0 109.81 179.221 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.378 . . . . 1.0 110.283 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.35 -28.05 16.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.832 0.348 . . . . 1.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.99 -15.56 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.288 179.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -20.37 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.479 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -100.51 -1.22 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 17.8 p -98.38 -37.85 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.646 ' N ' ' HG ' ' A' ' 17' ' ' SER . 4.7 pt-20 -46.72 -18.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.529 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 17' ' ' SER . 31.3 t -75.49 -40.98 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.59 -7.95 30.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 32.0 t80 -54.08 -30.63 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.679 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 4.92 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -125.85 -56.15 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.314 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.66 -36.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.784 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 47.0 tttp -46.49 -39.11 10.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -110.28 -36.38 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -96.55 31.08 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.39 28.21 3.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.91 11.1 5.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 1.0 110.798 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.469 ' O ' ' SD ' ' A' ' 36' ' ' MET . 49.4 Cg_exo . . . . . 0 N--CA 1.495 1.577 0 CA-C-O 120.742 0.226 . . . . 1.0 112.428 . . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -69.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.475 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -35.97 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.966 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.33 -61.31 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.657 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -40.89 -52.08 3.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.73 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -35.25 72.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.642 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 88.8 t -95.65 0.75 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' TYR . 10.3 t80 -95.64 -59.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.55 -9.1 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.4 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.15 -59.65 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.843 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -80.29 -48.24 6.5 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 5.7 m -51.96 -6.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.939 -0.304 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.543 ' H ' ' C ' ' A' ' 42' ' ' GLY . 1.8 m -107.07 -29.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.428 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . -126.2 25.55 5.44 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.7 m-80 -153.78 -52.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 1.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.12 -40.12 88.32 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.87 -55.73 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 t -58.32 -64.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.381 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -47.58 -30.42 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.341 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -79.46 -42.75 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -48.54 70.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.284 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.28 -45.6 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.472 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -64.74 -28.24 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.381 179.814 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.59 -11.99 56.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.572 179.795 . . . . . . . . 3 3 . 1 . 035 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -32.13 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.731 -179.543 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -13.59 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.3 -53.4 2.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 1.0 110.68 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . -108.18 -36.14 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.63 -26.02 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.475 179.87 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -15.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 13' ' ' ALA . 6.0 pt20 -100.99 -14.28 17.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 19' ' ' CYS . 43.9 t -98.3 -27.02 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -56.58 -5.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' H ' ' C ' ' A' ' 17' ' ' SER . 25.3 t -101.5 -35.45 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.97 -25.89 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.7 t80 -49.97 -35.77 25.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -75.15 -18.3 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.9 -53.49 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -45.42 -51.68 11.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.579 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -49.81 -22.8 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.14 -47.12 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -86.02 13.62 7.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.512 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -123.75 36.17 3.07 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.7 -2.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.284 . . . . 1.0 110.68 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo . . . . . 0 N--CA 1.493 1.484 0 CA-C-O 120.829 0.262 . . . . 1.0 112.023 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -69.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.736 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.84 -47.96 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 1.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -47.27 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 1.2 tp -61.26 -36.93 81.35 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 25.5 t -79.52 -9.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.93 0.395 . . . . 1.0 110.234 179.758 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -99.6 -53.41 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.76 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -86.74 -22.67 25.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.655 -179.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -115.71 23.06 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.208 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.01 -32.48 0.04 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.464 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -119.29 34.99 4.99 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.69 0.281 . . . . 1.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.6 m -140.31 -59.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.427 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.19 -15.24 65.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.57 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -67.88 -56.11 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 1.0 110.538 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.73 -51.77 57.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.05 -46.42 53.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.218 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.14 -58.84 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 90.9 mt -60.12 -10.99 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.506 179.806 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' NH1' ' A' ' 55' ' ' ARG . 27.8 t90 -99.85 -37.43 9.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 m -81.05 -42.34 21.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.452 . . . . 1.0 109.84 179.287 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.74 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.108 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -58.27 -23.54 56.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 21.8 mtt180 -94.23 -22.28 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -91.89 -27.33 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.483 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -104.19 -8.83 19.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.402 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.64 -32.3 11.66 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 1.0 110.593 179.945 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.39 -28.19 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 1.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.05 -37.55 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -34.67 42.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -96.57 6.02 49.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.519 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' TYR . 4.2 t -103.18 -46.66 4.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -39.56 -57.63 1.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -55.22 -28.93 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' SER . 19.1 mm-40 -110.08 15.54 22.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.8 t80 -78.01 -53.08 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 1.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 p -56.87 -14.5 3.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.404 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -52.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -39.24 -41.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.073 -179.765 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -44.0 -38.24 3.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.58 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -110.91 -36.75 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 t -91.74 18.08 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.481 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -81.06 -3.36 90.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.72 -7.62 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.695 0.284 . . . . 1.0 110.76 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.214 -179.717 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 41.7 Cg_exo . . . . . 0 N--CA 1.494 1.537 0 CA-C-O 120.842 0.268 . . . . 1.0 112.136 . . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.95 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.233 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.45 -45.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 1.0 109.934 179.469 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -42.34 -52.09 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.027 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -47.7 -63.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.28 179.717 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.96 -41.78 62.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.352 179.753 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 84.2 t -80.67 -2.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.95 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 35' ' ' TYR . 78.0 t80 -105.17 -33.35 8.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.546 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.12 -2.88 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.512 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -123.74 -30.71 3.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.096 179.623 . . . . . . . . 3 3 . 1 . 037 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -2.99 59.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.07 22.16 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 m -123.44 -37.88 2.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.441 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.51 19.06 4.56 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 15.0 m-80 -126.24 -47.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 1.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.75 -48.54 8.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.05 -41.78 88.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 1.0 110.333 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.76 -62.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.99 -25.39 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.665 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 69.8 t90 -85.14 -48.53 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.635 -179.797 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -64.83 -39.49 93.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.503 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 t -63.16 -45.95 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -18.03 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.774 -179.84 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.1 mtm-85 -106.97 2.68 25.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.925 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -119.28 -25.62 6.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.223 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -102.6 -27.61 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.79 -34.62 27.17 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.591 -1.004 . . . . 1.0 110.591 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 1.0 110.601 -179.995 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.08 -25.36 13.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.927 0.394 . . . . 1.0 110.287 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.95 -18.58 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.138 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -33.49 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 16.36 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.3 p -116.25 -54.23 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' OG ' ' A' ' 17' ' ' SER . 55.2 mt-10 -62.78 -43.87 97.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -71.08 -33.53 70.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.695 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -102.64 11.77 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.77 -179.852 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -76.1 -49.73 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.535 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -61.3 -25.33 67.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.52 -45.64 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.757 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -43.44 -52.61 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.8 -179.875 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -42.1 -26.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.562 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 t -106.13 -42.97 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 29' ' ' ALA . 17.2 m -76.83 0.45 20.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -55.9 -5.68 1.03 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -98.54 1.91 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.778 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 N--CA 1.495 1.573 0 CA-C-O 120.72 0.217 . . . . 1.0 112.034 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -64.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.13 -47.52 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -43.57 -52.51 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.6 mmt -50.38 -66.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.666 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.54 -23.16 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.0 -179.643 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 69.2 t -107.29 9.49 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.096 -179.785 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 35' ' ' TYR . 89.6 t80 -120.81 -25.51 5.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.7 -0.31 18.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.754 -179.843 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -131.27 -37.57 1.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.53 179.747 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.81 -6.12 60.81 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.453 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.18 27.65 2.87 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 m -136.96 -52.43 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.378 179.794 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.31 -7.22 59.51 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.7 -51.97 6.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 1.0 110.556 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.12 -48.78 44.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.13 -49.38 69.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 1.0 110.386 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.78 -69.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -46.52 -22.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 72.0 t90 -85.15 -45.67 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -70.35 -44.82 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.67 -38.9 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.661 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.35 -15.6 63.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -109.5 0.17 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.113 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -29.38 7.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.334 179.668 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -29.53 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.451 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.81 -37.56 6.38 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 -179.741 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.73 -34.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.12 -35.6 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -28.14 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.1 -9.61 33.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' GLU . 28.3 p -87.49 -50.03 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -41.84 -27.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -75.51 -40.93 56.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.0 pt-20 -96.84 -0.46 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.658 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' SER . 37.1 t80 -69.48 -31.81 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.574 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -79.36 -16.15 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.56 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.578 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.19 -43.77 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -49.88 -34.07 19.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 t -97.51 -35.04 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -90.78 15.49 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.08 -9.29 77.25 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.91 43.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 1.0 110.249 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.971 -179.893 . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 120.761 0.234 . . . . 1.0 111.999 . . . . . . . . . 0 0 . 1 . 039 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.9 -42.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -55.57 32.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.57 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.7 -58.17 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -48.13 -26.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.734 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.8 t -95.01 -24.71 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -76.8 -58.23 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.638 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.59 1.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.0 mt -99.4 -66.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.658 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.87 12.16 70.22 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.77 32.07 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 1.0 110.589 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.8 -51.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.36 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.84 1.28 30.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.671 -0.971 . . . . 1.0 110.671 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -102.47 -61.39 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.01 56.55 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.89 -51.11 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.307 . . . . 1.0 110.278 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.4 t -60.27 -67.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.447 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.3 mt -45.91 -26.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 67.9 t90 -82.87 -46.68 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -67.54 -45.49 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.14 -48.03 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.727 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -55.17 -18.75 6.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.678 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.7 mtm-85 -101.43 -9.23 21.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 -179.663 . . . . . . . . 2 2 . 1 . 039 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -107.23 -23.96 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.406 . . . . 1.0 109.932 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -89.48 -27.35 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.751 179.44 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.3 -51.08 15.96 Favored Glycine 0 C--N 1.33 0.204 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 42.8 t60 . . . . . 0 C--N 1.321 -0.644 0 CA-C-O 121.635 0.731 . . . . 1.0 109.914 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.43 -27.72 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 1.0 110.655 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -89.32 -31.78 17.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.622 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -51.35 -28.01 11.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.596 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.3 25.18 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -136.89 -48.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.541 179.981 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.96 -20.96 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -101.44 -29.77 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.85 -16.67 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 1.2 t80 -67.79 -37.76 82.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -18.64 61.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.59 -55.78 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.65 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.82 -40.55 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -51.88 -37.07 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -97.85 -30.76 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -92.76 13.46 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.538 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.85 0.12 87.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.03 41.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 1.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.944 179.952 . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 N--CA 1.494 1.503 0 CA-C-O 120.742 0.226 . . . . 1.0 112.111 . . . . . . . . . 0 0 . 1 . 040 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.2 -69.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.02 -47.28 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.138 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -52.77 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.427 179.831 . . . . . . . . 3 3 . 1 . 040 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -56.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 42.2 tp -49.66 -32.02 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.409 -179.747 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 68.8 t -97.08 -4.14 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 1.0 110.624 -179.429 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.4 t80 -90.31 -41.74 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.672 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.05 -18.88 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 4.0 pp -111.94 -9.97 13.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.325 179.674 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.06 2.25 33.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -130.89 6.31 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.625 0.25 . . . . 1.0 110.59 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 4.1 t -118.53 -38.06 3.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -115.06 9.93 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.632 -0.987 . . . . 1.0 110.632 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -134.29 -50.64 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 1.0 110.44 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 51' ' ' TRP . . . -59.38 -50.41 68.03 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -48.82 -52.11 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 1.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.55 -68.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.499 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 84.1 mt -49.19 -22.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 51' ' ' TRP . . . . . 0.407 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 73.8 t90 -84.49 -43.99 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -67.98 -43.38 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' A' ' 55' ' ' ARG . 54.2 t -64.59 -50.81 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.57 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -48.88 -13.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.461 179.883 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.489 ' H ' ' C ' ' A' ' 53' ' ' VAL . 8.6 mtp85 -103.05 -22.06 13.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.666 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.2 ptmt -94.44 -28.71 15.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.441 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -101.42 -12.09 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.35 -33.51 19.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.9 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -143.32 89.04 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CE1' ' A' ' 7' ' ' PHE . 3.8 mt-10 -54.37 160.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.85 112.16 0.09 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.02 49.25 2.5 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -172.57 58.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 1.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' A' ' 3' ' ' GLU . 2.2 m-85 -101.53 120.61 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 9' ' ' ASN . 2.6 t70 -85.89 -42.21 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.609 ' ND2' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER 45.22 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.609 ' N ' ' ND2' ' A' ' 9' ' ' ASN . 0.0 OUTLIER 55.53 116.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.017 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 44.05 39.49 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.53 -29.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.21 -25.54 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 40.9 m-20 -108.65 -17.54 13.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' OD1' ' OE2' ' A' ' 18' ' ' GLU . 6.8 t30 -50.6 -21.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.98 -25.68 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ASP . 4.5 t -81.93 -28.4 32.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' A' ' 15' ' ' ASN . 8.0 pt-20 -52.82 -21.55 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.9 m -87.97 -30.11 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -89.13 -23.67 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 3.7 t80 -50.81 -35.37 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 p -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -92.18 -55.16 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -45.33 -49.22 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.602 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -54.19 -24.38 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 34.5 m -94.26 -49.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.77 23.44 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -132.36 30.97 3.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.45 -18.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.679 0.276 . . . . 1.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.88 -12.06 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.129 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.2 mm -85.94 -35.35 0.51 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.4 Cg_exo -60.31 -30.03 90.18 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.064 1.843 . . . . 1.0 112.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.41 -70.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.02 -50.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -45.08 -57.6 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.0 mmt -61.12 -62.2 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.72 -21.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' MET . 33.9 t -101.0 -24.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.461 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -78.45 -57.33 3.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 2.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.7 mt -100.61 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.595 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.95 10.69 71.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.059 -0.816 . . . . 1.0 111.059 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.78 32.12 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 1.0 110.615 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.99 -50.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.77 -13.42 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.84 -54.53 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 1.0 110.496 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.604 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -57.18 -47.64 86.07 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 tp -56.94 -50.38 72.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 1.0 110.355 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.7 t -60.33 -69.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 87.5 mt -45.64 -28.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -78.46 -49.0 14.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 m -62.33 -46.94 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.54 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.443 ' CG1' ' HZ2' ' A' ' 57' ' ' LYS . 41.3 t -61.0 -47.28 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.558 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.2 m-85 -53.71 -12.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.0 mtp85 -105.28 -13.46 15.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.628 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -29.44 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.443 ' HZ2' ' CG1' ' A' ' 53' ' ' VAL . 36.0 mttp -99.94 -28.7 12.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.555 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.7 -28.05 57.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -14.53 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 1.0 110.613 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 18.1 m80 -137.45 -92.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.554 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -150.79 -63.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -168.86 114.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' HIS . 23.7 t-80 49.36 40.64 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.417 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 63' ' ' HIS . 54.7 m-70 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.021 -0.99 . . . . 1.0 110.591 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' THR . 43.7 mm-40 -50.58 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.605 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' OE2' ' CE2' ' A' ' 51' ' ' TRP . 2.7 pt-20 -57.51 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.46 54.0 14.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.63 75.12 0.88 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.16 70.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.649 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -80.16 179.32 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.88 13.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.717 HD21 ' H ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -41.52 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.701 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.717 ' H ' HD21 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -40.63 157.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.592 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 t80 43.09 38.25 1.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.362 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 27.01 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.483 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -112.09 -34.96 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 1.0 110.475 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.53 -22.3 21.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.6 -25.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -25.88 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.8 t -81.98 -25.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.565 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.3 mt-10 -59.56 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -46.42 -27.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 71.4 mm-40 -88.94 -20.85 23.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.667 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' SER . 33.5 t80 -48.44 -29.03 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -79.4 -21.88 45.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -106.88 -56.6 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.743 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.06 -34.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.975 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 16.5 tttp -52.9 -42.13 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.521 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 m -108.61 -15.33 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.761 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.2 m -102.45 0.23 33.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -76.72 3.51 55.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.93 -6.03 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.688 0.28 . . . . 1.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -132.22 -5.72 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.4 mt -78.41 -33.44 0.93 Allowed Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.733 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.6 Cg_exo -57.9 -31.18 91.95 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.897 1.731 . . . . 1.0 112.066 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.86 -36.64 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.257 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.07 -62.79 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -52.12 -57.4 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.613 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.75 -34.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.506 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.44 -20.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.486 ' C ' ' H ' ' A' ' 41' ' ' LEU . 3.7 t80 -77.53 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.46 0.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.486 ' H ' ' C ' ' A' ' 39' ' ' PHE . 3.9 mt -101.54 -52.18 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.64 10.71 61.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.426 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -133.63 24.84 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.696 0.284 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -129.78 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.45 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.6 17.97 6.42 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -126.8 -50.62 1.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.864 0.364 . . . . 1.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.31 -45.99 82.0 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.32 -51.5 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 1.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.1 t -59.42 -65.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.559 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.7 mt -48.57 -28.72 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.471 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.4 t90 -78.43 -47.73 16.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.452 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' LYS . 18.0 m -64.91 -51.97 59.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.396 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.1 t -52.44 -53.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.385 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.44 -46.99 48.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.479 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -75.79 -26.54 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.463 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' THR . 7.5 tptm -62.41 -55.49 27.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -84.17 -15.61 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.76 -29.6 47.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -17.42 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 1.0 110.499 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 18.0 t-160 -125.33 51.21 1.71 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.567 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.565 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.3 t-80 -102.49 -153.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.565 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -99.36 -70.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.535 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.422 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 15.8 t-80 -100.79 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.578 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.542 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 mtt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 57.26 -175.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 49.73 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.11 131.23 1.2 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -174.28 28.89 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -170.71 54.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 1.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -48.72 130.8 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 31.74 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.536 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -45.18 -62.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -72.62 37.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.654 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.536 ' H ' ' C ' ' A' ' 9' ' ' ASN . 53.0 m-85 -162.62 39.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.253 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.01 27.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.88 -35.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 1.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.471 ' C ' ' H ' ' A' ' 16' ' ' GLN . 20.5 m-20 -98.03 -23.43 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.83 -13.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.48 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.471 ' H ' ' C ' ' A' ' 14' ' ' ASP . 3.7 pp0? -100.17 -24.29 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -83.31 -25.35 31.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.524 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.41 -5.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.485 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.521 ' H ' ' C ' ' A' ' 17' ' ' SER . 5.6 m -101.54 -43.09 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -85.77 -17.45 35.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.54 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.58 80.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -13.37 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.573 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.39 -47.03 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -52.69 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -46.89 -23.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -101.55 -44.68 5.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -79.26 11.6 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.72 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.42 8.0 80.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.08 20.83 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.28 -31.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.29 -36.79 5.1 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.433 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -60.02 -30.15 90.92 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.175 1.916 . . . . 1.0 111.952 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.7 -39.6 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -62.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.521 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.03 -54.23 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -47.74 -30.08 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.52 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.6 t -92.91 -23.1 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.462 ' C ' ' H ' ' A' ' 41' ' ' LEU . 2.3 t80 -76.7 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.7 0.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.462 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.1 mt -97.16 -59.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.557 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.02 9.19 65.54 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -131.96 32.63 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 1.0 110.566 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.3 m -136.79 -51.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.0 -6.8 48.37 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.611 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.56 -51.35 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.611 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.34 -53.5 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -49.48 -51.46 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 1.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.4 t -60.2 -72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.462 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 93.5 mt -44.59 -26.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.476 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.44 -47.89 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.483 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.51 -42.28 87.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.23 -45.41 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.24 -14.83 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -110.62 5.04 20.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.82 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -120.42 -27.18 5.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.331 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -101.43 -32.87 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.54 -30.1 34.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -54.82 -36.2 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 1.0 110.595 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 61' ' ' HIS . 25.8 t-80 -55.99 -109.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.57 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 24.1 m80 -152.11 -55.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -156.59 -44.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.486 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 4.3 t-80 -98.22 41.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.37 73.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -172.49 56.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.493 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.88 -31.78 2.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.75 -148.69 19.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -149.62 47.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 1.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.409 ' C ' ' H ' ' A' ' 9' ' ' ASN . 0.3 OUTLIER -92.61 176.83 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.595 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -74.47 8.18 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.557 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 11' ' ' TYR . 2.6 t-20 -58.88 -32.72 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -62.97 70.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' ASN . 21.1 m-85 40.11 39.75 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.593 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.97 54.22 3.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.8 -31.82 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 1.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -84.29 -28.75 26.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.466 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.62 -27.29 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.461 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -103.42 -2.19 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -101.92 -41.14 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.09 -23.31 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.41 -29.85 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -94.26 -23.86 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.38 -32.68 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.7 p -77.72 -20.51 53.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -51.94 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -44.27 -56.57 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.545 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -47.04 -22.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.39 -47.8 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.673 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -77.48 2.92 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -94.25 1.11 66.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.16 41.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -174.0 -28.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.031 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -75.27 -32.65 1.27 Allowed Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -58.28 -23.47 62.74 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.855 1.703 . . . . 1.0 112.036 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.634 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.412 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 mp -49.08 -48.14 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -51.75 -55.24 20.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.11 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.639 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -46.91 -17.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 36' ' ' MET . 35.9 t -101.89 -24.65 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' MET . 34.8 t80 -80.54 -56.2 4.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.95 1.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.447 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.5 mt -101.22 -61.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.58 10.58 72.58 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -136.2 33.27 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 1.0 110.525 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -135.94 -51.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -105.04 -6.72 39.35 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.39 -51.08 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.42 39.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tp -53.5 -45.01 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.5 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.38 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.35 -25.68 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -81.44 -47.39 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 m -64.4 -45.75 86.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.81 -46.14 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -16.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.1 mtp85 -101.48 -12.3 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.69 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -29.69 11.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -100.48 -30.89 11.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.95 -27.54 60.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -37.43 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -97.4 74.67 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 7.4 m-70 -73.55 4.64 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.584 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 2.1 t-160 77.97 -34.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 62' ' ' HIS . 1.0 OUTLIER -134.81 41.85 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.574 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.24 152.35 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.16 -167.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.34 -117.5 0.46 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.68 -134.96 6.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 59.25 50.65 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 1.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.3 144.95 52.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.576 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.73 22.31 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.601 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' ALA . 3.6 p30 -46.17 -79.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' H ' ' CG ' ' A' ' 9' ' ' ASN . 72.5 m-85 -41.7 146.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.578 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 t80 51.96 41.63 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.78 -29.27 0.06 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -94.03 -26.11 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.405 ' O ' ' OG ' ' A' ' 17' ' ' SER . 12.6 p-10 -109.25 -16.97 13.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -50.87 -19.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.61 -25.3 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.552 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' C ' ' H ' ' A' ' 19' ' ' CYS . 67.1 p -78.15 -49.5 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.589 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -49.54 -14.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.581 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.448 ' H ' ' C ' ' A' ' 17' ' ' SER . 16.5 t -68.41 -28.88 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -94.33 9.27 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.451 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.81 -46.83 62.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.9 p -62.84 -25.91 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.59 -39.93 11.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.532 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLY . 21.3 t90 -46.9 -52.95 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -46.6 -31.86 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -89.27 -49.41 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 m -84.55 16.52 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -127.12 35.97 2.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.54 -3.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.68 0.276 . . . . 1.0 110.652 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.87 -34.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -74.1 -35.42 2.35 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.418 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.7 Cg_exo -60.6 -33.06 93.99 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.112 1.875 . . . . 1.0 111.976 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.12 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.19 -46.2 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -64.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.413 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.2 mmt -61.25 -56.49 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.03 -25.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -101.14 -26.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -71.21 -58.03 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -61.28 -36.43 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.547 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -71.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.501 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -57.84 -57.69 18.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 9.0 m -48.2 -13.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.282 . . . . 1.0 110.691 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.501 ' H ' ' C ' ' A' ' 42' ' ' GLY . 95.8 m -110.82 -26.51 9.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.61 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.82 -4.63 56.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.045 -0.822 . . . . 1.0 111.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -106.93 -44.32 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.802 0.334 . . . . 1.0 110.576 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.1 -56.52 8.83 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.64 -47.82 20.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 1.0 110.388 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.6 t -62.15 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -42.0 -30.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 77.9 t90 -72.97 -51.01 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.297 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -56.83 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.062 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 t -43.43 -38.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.523 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.25 -52.38 54.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -72.23 -9.59 58.66 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.554 -0.536 . . . . 1.0 109.554 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -87.06 -51.88 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.324 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -23.82 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.619 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.55 -28.77 51.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -57.93 -14.94 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.0 110.587 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 14.2 t-160 -83.11 7.31 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.525 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -100.53 -174.62 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.52 -78.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 25.6 m80 -93.7 41.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 13.6 p80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.524 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -80.25 -164.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.6 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -173.02 151.4 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.27 126.4 1.0 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.98 55.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -146.69 44.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 1.0 110.57 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.503 ' C ' ' H ' ' A' ' 9' ' ' ASN . 88.9 m-85 -99.34 -170.43 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.28 16.79 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.563 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' H ' ' C ' ' A' ' 7' ' ' PHE . 39.8 p-10 -54.24 176.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.524 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 41.43 32.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -174.2 39.93 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.386 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.63 29.1 0.04 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 -27.89 2.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.814 0.34 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -28.96 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -50.09 -28.79 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.572 ' H ' HE21 ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.23 -26.99 18.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' TYR . 62.0 p -74.31 -34.93 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.519 ' O ' ' N ' ' A' ' 21' ' ' TYR . 24.2 mt-10 -58.99 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -43.28 -27.77 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.84 -29.4 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.578 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.2 t80 -67.64 -35.06 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 t -78.69 -14.43 59.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.81 -53.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.87 -44.58 9.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -47.81 -30.52 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.8 m -102.59 -42.84 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.52 30.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.612 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -128.94 24.9 4.73 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.12 17.67 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 1.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.62 -36.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mt -72.35 -35.59 3.37 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.496 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.7 Cg_exo -60.81 -32.17 92.55 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.089 1.859 . . . . 1.0 112.02 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -67.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.87 -39.42 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -61.22 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.05 -55.74 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.604 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.93 -35.99 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.419 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 53.2 t -90.61 -8.94 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.2 t80 -84.89 -54.52 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.65 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -3.23 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 86.8 mt -124.5 -2.82 7.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.5 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.486 ' C ' ' HG1' ' A' ' 43' ' ' THR . . . -135.79 4.42 3.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.486 ' HG1' ' C ' ' A' ' 42' ' ' GLY . 2.8 m -150.96 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 1.0 110.626 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -129.65 -46.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.306 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.21 5.03 11.15 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.691 -0.963 . . . . 1.0 110.691 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 29.7 m-80 -103.18 -50.53 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.858 0.361 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.84 40.16 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.46 -48.0 69.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.422 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.7 t -59.82 -71.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.587 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 7.2 mt -41.72 -31.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 78.9 t90 -77.92 -49.0 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.533 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -61.57 -44.92 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.364 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 55' ' ' ARG . 61.4 t -64.22 -48.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-85 -48.87 -12.78 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 23.3 mtm180 -105.45 -19.97 13.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -99.48 -23.83 14.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.554 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' CB ' ' NZ ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -104.13 -15.32 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.01 -30.14 39.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.83 -12.76 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 1.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -138.56 76.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' HIS . 1.1 t-80 -109.11 145.65 35.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.573 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER 54.38 106.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.539 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 49.06 40.61 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.583 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.479 ' OE1' ' N ' ' A' ' 2' ' ' GLU . 3.3 pm0 -92.02 90.22 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 157.4 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.46 -64.81 0.04 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.91 -164.43 4.52 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.4 57.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 1.0 110.614 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.67 134.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.51 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -137.68 39.11 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.666 HD21 ' H ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 47.68 -178.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.757 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.666 ' H ' HD21 ' A' ' 9' ' ' ASN . 21.2 t80 -49.26 88.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.326 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' ASN . 16.2 t80 45.42 39.69 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.169 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' ASP . . . 42.91 31.41 1.18 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -33.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 1.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 9' ' ' ASN . 26.2 p-10 -91.58 -26.29 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.408 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.69 -15.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.485 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.459 ' H ' ' C ' ' A' ' 14' ' ' ASP . 10.6 pt20 -101.93 -24.2 14.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.503 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' ASP . 20.1 t -74.18 -36.66 64.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.09 -24.79 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.13 -30.61 69.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -83.29 -6.25 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -95.65 -45.12 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.543 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 1.5 t -67.39 -23.01 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.598 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.98 -42.47 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -54.94 -59.46 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -50.87 -27.95 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -48.86 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.34 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -0.68 15.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.77 -9.82 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp -134.75 0.17 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -75.9 -33.7 1.35 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.631 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.4 Cg_exo -58.41 -25.27 72.67 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.921 1.747 . . . . 1.0 112.065 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.54 -68.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.35 -40.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.482 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -62.91 -59.1 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -55.3 36.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.544 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -49.88 -31.57 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.66 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.4 t -89.74 -19.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.526 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.484 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.5 t80 -79.72 -58.85 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 1.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.484 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.2 mt -99.05 -65.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.617 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.97 11.45 72.09 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.14 33.17 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.669 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -136.36 -50.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.15 -2.16 38.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -89.13 -49.6 6.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.7 -50.69 34.75 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.21 -48.38 68.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 1.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.5 t -60.13 -72.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -41.49 -30.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.612 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.6 t90 -77.34 -50.69 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.602 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -64.2 -44.74 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.99 -46.25 87.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.74 -14.84 9.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.39 9.64 23.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.745 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.29 -26.81 4.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -98.89 -38.8 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.68 -29.69 42.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -34.67 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 1.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -64.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.623 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.613 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 72.3 t60 -137.52 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.613 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 97.1 m-70 -62.8 -92.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' HIS . 74.0 m80 -88.7 41.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 1.5 m170 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.36 107.71 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.611 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.28 168.7 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.593 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.8 -88.28 0.07 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.58 67.12 0.05 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -149.85 55.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 1.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 49.09 45.87 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.49 55.99 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.575 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -58.06 169.77 0.75 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.538 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.1 t80 58.52 142.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 41.84 40.12 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.468 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.02 30.57 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.98 -28.1 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 1.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 4.3 m-20 -96.94 -27.33 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -26.3 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.83 -16.97 19.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.593 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 82.7 p -76.54 -40.2 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.593 ' N ' ' HG ' ' A' ' 17' ' ' SER . 5.1 pt-20 -50.1 -11.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.634 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.519 ' H ' ' C ' ' A' ' 17' ' ' SER . 17.6 t -71.82 -29.64 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.539 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.25 -22.74 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.15 -35.03 74.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -74.01 -21.28 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -91.4 -53.21 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -42.83 -49.05 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -57.47 -30.72 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ASP . 13.8 m -81.87 -48.58 11.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -0.65 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.91 6.62 82.75 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 -3.58 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -130.81 -5.29 4.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.0 mt -78.9 -33.28 0.86 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.674 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.2 Cg_exo -58.84 -22.48 62.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.008 1.805 . . . . 1.0 111.985 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.43 -68.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.441 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -52.4 -48.06 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -60.58 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.515 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.52 ' C ' ' H ' ' A' ' 38' ' ' VAL . 7.8 mmt -59.02 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -49.08 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.65 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.52 ' H ' ' C ' ' A' ' 36' ' ' MET . 50.3 t -115.32 -13.45 11.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.3 t80 -95.57 -15.52 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -112.17 2.08 16.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -103.86 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.103 -179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.56 9.26 58.8 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.092 -0.575 . . . . 1.0 111.829 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 31.14 4.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.891 0.377 . . . . 1.0 110.519 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -138.09 -47.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.341 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.56 -1.24 46.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.65 -50.38 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 1.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.68 -45.16 90.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.36 -48.8 79.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 1.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.0 t -59.74 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.523 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.4 mt -43.59 -30.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.535 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 81.1 t90 -77.54 -50.52 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -59.74 -43.95 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.496 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.491 ' C ' ' H ' ' A' ' 55' ' ' ARG . 47.3 t -65.47 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.25 -12.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.569 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 26.6 mtm180 -104.08 -22.27 13.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.668 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.7 ptmt -93.98 -29.07 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -101.51 -12.78 18.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.519 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.65 -30.56 26.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -57.72 -15.03 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 1.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.53 16.87 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 12.5 t-80 -94.71 36.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.487 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 1.9 t-160 75.5 -64.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -73.14 52.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.478 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.911 -1.042 . . . . 1.0 110.521 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -141.95 105.08 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.574 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -54.64 119.6 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.13 102.63 0.21 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.27 -154.42 20.13 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' C ' ' CD1' ' A' ' 7' ' ' PHE . 28.0 t70 -171.67 53.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 1.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -150.93 101.9 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.533 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 41.57 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' ND2' ' N ' ' A' ' 10' ' ' TYR . 11.1 t30 -49.1 -97.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.535 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' N ' ' ND2' ' A' ' 9' ' ' ASN . 0.6 OUTLIER -41.61 126.37 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 78.83 40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.416 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.01 27.68 0.03 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.0 -27.69 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 1.0 110.593 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.38 -29.46 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -48.09 -28.96 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -80.09 -30.36 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.468 ' C ' ' H ' ' A' ' 19' ' ' CYS . 39.7 t -70.5 -53.0 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.603 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -47.74 -14.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.468 ' H ' ' C ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.26 -32.53 18.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.585 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.0 mm-40 -92.31 -31.91 15.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 20.9 t80 -53.14 -32.71 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -18.73 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 26' ' ' SER . 1.3 m-20 -95.37 -57.03 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.564 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.8 -42.31 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.528 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -50.68 -36.82 37.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.591 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 23' ' ' ASP . 2.8 t -95.94 -34.4 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -87.53 13.58 9.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.21 -10.69 74.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.52 43.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 1.0 110.238 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -172.65 -28.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.4 mt -70.72 -34.58 3.78 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.734 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.62 -26.95 83.96 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.87 1.713 . . . . 1.0 111.959 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.36 -69.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.47 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.431 HG22 HD12 ' A' ' 34' ' ' ILE . 13.1 mt -58.15 -45.64 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.21 179.828 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -52.98 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.2 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -66.99 -57.91 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.66 -37.67 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.467 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 t -82.38 -29.99 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.016 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.498 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.5 t80 -71.63 -59.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.85 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.425 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -63.29 0.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.603 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.498 ' H ' ' C ' ' A' ' 39' ' ' PHE . 3.1 mt -96.06 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.9 3.31 85.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.54 42.34 3.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 21.8 m -140.31 -55.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.98 -8.55 39.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -48.44 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.555 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.99 -46.53 65.67 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.4 tp -57.11 -49.06 77.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 1.0 110.379 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.5 t -60.16 -70.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.596 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.6 mt -42.18 -30.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.529 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -77.66 -50.32 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.561 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -58.51 -42.97 88.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.423 ' C ' ' H ' ' A' ' 55' ' ' ARG . 35.6 t -62.9 -47.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -13.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.423 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.6 mtp85 -103.68 -14.83 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -102.41 -28.63 12.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -99.73 -29.95 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.14 -28.64 55.77 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -15.07 11.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.56 94.61 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.647 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.5 t-80 -67.13 -148.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.532 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.647 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -91.31 -52.45 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.574 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -137.8 43.1 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.7 m80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.596 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -91.83 77.54 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.513 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -56.08 178.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.588 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.39 134.02 8.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -43.73 -86.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 2.2 p30 -172.33 67.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 64.07 156.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.462 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' ASN . 0.5 OUTLIER -93.73 27.37 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.525 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.451 ' O ' ' O ' ' A' ' 10' ' ' TYR . 29.4 p30 -45.95 173.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 52.69 109.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.943 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 79.31 40.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.451 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.45 26.53 0.05 OUTLIER Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.5 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 1.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.07 -29.38 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -28.23 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -99.7 -4.28 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.529 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 16.6 p -96.03 -36.09 11.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' N ' ' HG ' ' A' ' 17' ' ' SER . 44.0 mt-10 -54.51 -64.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.558 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -43.02 -29.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -92.26 -27.43 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.5 t80 -52.23 -30.91 29.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 p -76.22 -20.59 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -98.64 -60.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.607 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.428 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -41.56 -31.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.576 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.62 -37.38 56.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' ASP . 58.2 m -95.63 -2.53 48.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -136.17 -53.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.648 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -60.21 -1.08 1.4 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.514 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -102.93 -9.08 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 1.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.65 7.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -75.78 -33.59 1.35 Allowed Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.4 Cg_exo -58.51 -19.05 42.45 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.939 1.759 . . . . 1.0 111.993 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.437 ' N ' ' CD1' ' A' ' 34' ' ' ILE . 1.7 mp -54.06 -36.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -57.44 8.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.94 -57.7 11.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.622 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -46.65 -28.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.517 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.8 t -98.07 -13.2 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.511 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 17.7 t80 -81.05 -48.27 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.577 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -2.08 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 91.1 mt -125.63 -0.41 7.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.453 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.36 3.18 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.31 23.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 1.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -132.44 -48.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.33 -4.33 43.92 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.68 -53.28 4.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 1.0 110.59 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.602 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -62.67 -54.56 32.92 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.94 -51.27 24.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.302 . . . . 1.0 110.43 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.403 ' C ' ' N ' ' A' ' 51' ' ' TRP . 13.7 t -60.69 -72.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -46.66 -21.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.443 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.472 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.7 t90 -85.56 -44.07 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -66.43 -41.5 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 ' C ' ' H ' ' A' ' 55' ' ' ARG . 38.0 t -62.54 -52.43 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -14.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.508 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.6 mtp85 -101.51 -20.68 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.607 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -94.61 -29.24 14.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.435 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 -13.91 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.505 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.54 -31.99 20.3 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -13.5 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.549 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -138.15 92.42 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -177.1 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -80.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.96 42.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.54 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.501 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tmm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -151.56 126.25 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.621 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mt-10 53.79 169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.19 -134.83 2.59 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.44 84.52 0.15 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -148.89 54.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 1.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -100.24 154.91 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.18 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.614 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.83 -88.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 p90 -41.92 129.95 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 3.5 t80 74.54 40.46 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.577 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.27 27.73 0.03 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.89 -27.57 2.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 1.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -95.35 -25.71 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.571 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -26.57 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.529 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -3.66 55.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -96.03 -48.9 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.83 -26.34 46.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -78.35 -29.72 47.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.604 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.34 -29.7 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -51.47 -38.6 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -68.23 -14.08 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -102.69 -46.63 4.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.53 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' GLY . 22.9 t90 -42.34 -52.05 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -49.69 -31.98 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ASP . 32.2 t -88.61 -49.27 6.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 m -84.54 15.17 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -126.78 37.03 2.5 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.7 -4.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 1.0 110.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.07 -33.75 0.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.752 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -74.91 -35.31 1.96 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.461 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.1 Cg_exo -61.14 -30.86 89.65 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.062 1.841 . . . . 1.0 112.027 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.416 HD13 HG22 ' A' ' 34' ' ' ILE . 13.1 mt -51.64 -51.2 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.301 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.56 -56.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.186 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -52.51 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.389 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -49.89 -44.48 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 72.5 t -78.98 -14.58 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.846 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' THR . 38.1 t80 -80.67 -60.19 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 1.0 110.77 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -1.48 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.815 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.5 mt -122.95 -8.64 8.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.467 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 7.11 4.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -148.42 20.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 1.0 110.617 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -132.2 -47.85 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.21 -2.71 44.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.603 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.38 -50.67 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.708 0.29 . . . . 1.0 110.514 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.89 -47.37 83.64 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.92 -47.54 77.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 1.0 110.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.1 t -61.25 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 11.1 mt -41.71 -30.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.56 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.0 t90 -76.3 -51.27 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.45 -43.95 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.527 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -58.37 -46.78 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' NE2' ' A' ' 64' ' ' HIS . 1.8 m-85 -58.33 -14.57 7.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.92 5.51 20.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.808 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.4 -26.81 5.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 12.4 tttp -101.73 -31.47 10.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.526 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.31 -31.1 31.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -16.17 22.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 1.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -70.36 -19.27 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.595 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CD2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.566 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t60 67.52 -66.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' HIS . 43.4 m80 -98.06 42.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -101.42 131.7 47.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.98 156.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.44 113.33 0.46 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.84 94.5 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -160.7 57.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 1.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -104.17 154.51 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.561 -179.984 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -88.84 -25.92 21.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.571 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t30 41.07 -100.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.634 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -41.67 132.52 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 72.1 38.11 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 1.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.76 28.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.7 -27.1 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 1.0 110.624 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.22 -29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -52.61 -34.98 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -95.31 9.84 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.458 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' TYR . 12.3 t -104.41 -48.06 3.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -41.51 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 t -75.7 -39.21 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 mm-40 -104.73 0.54 28.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.0 t80 -63.19 -29.75 71.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 p -80.16 -12.67 59.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.404 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -107.39 -57.19 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.716 -179.881 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.17 -35.74 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.776 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -51.74 -40.3 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.404 ' N ' ' O ' ' A' ' 23' ' ' ASP . 1.1 m -107.74 -17.97 13.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.696 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -104.03 10.28 36.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -83.11 -2.33 90.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.04 33.48 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 1.0 110.417 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.35 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.0 mm -73.63 -32.62 1.62 Allowed Pre-proline 0 CA--C 1.535 0.365 0 N-CA-C 112.046 0.388 . . . . 1.0 112.046 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.6 Cg_exo -59.52 -19.3 51.41 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.768 1.645 . . . . 1.0 111.988 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -67.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.639 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.477 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -59.55 -40.45 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.371 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -50.52 -49.78 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.359 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.408 ' C ' ' H ' ' A' ' 38' ' ' VAL . 10.1 mmt -61.18 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.582 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.76 -9.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.81 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' H ' ' C ' ' A' ' 36' ' ' MET . 42.3 t -116.12 -12.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' TYR . 85.7 t80 -94.51 -51.55 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.524 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.95 -12.04 60.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -85.81 -41.96 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.011 179.578 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -84.95 -56.16 2.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 99.6 m -46.02 -14.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 1.0 110.787 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m -108.51 -27.68 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -112.25 17.54 24.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -139.86 -45.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 1.0 110.456 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.41 -46.52 55.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.45 -49.17 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 1.0 110.206 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.74 -64.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.64 -29.95 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 75.2 t90 -75.55 -49.43 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.516 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.6 m -61.79 -51.75 67.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.292 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.0 t -51.11 -58.63 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.376 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -43.39 -48.57 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 2.3 mtp85 -75.24 -28.23 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.502 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.1 tptm -62.05 -58.69 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.623 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -82.43 -14.33 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.52 -30.17 41.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -6.88 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 1.0 110.638 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -142.9 38.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.63 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' CE1' ' NE2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -68.6 -176.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.548 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.476 ' NE2' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -81.15 -74.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.523 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.38 41.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 1.6 m170 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.976 -1.012 . . . . 1.0 110.618 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -66.07 153.19 42.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.47 84.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.37 -49.84 0.06 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.54 -148.15 19.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.404 ' C ' ' H ' ' A' ' 8' ' ' ASP . 2.9 m-20 60.45 52.27 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 1.0 110.56 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.06 39.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.19 0.519 . . . . 1.0 110.479 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 6' ' ' ASP . 2.9 m-20 -148.67 24.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.521 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' C ' ' H ' ' A' ' 11' ' ' TYR . 17.5 m120 -51.57 -61.43 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.7 38.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.056 0.455 . . . . 1.0 110.659 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.532 ' H ' ' C ' ' A' ' 9' ' ' ASN . 50.4 t80 -168.43 40.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.52 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 27.65 0.07 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.97 -35.22 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 1.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.18 -31.22 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -48.37 -25.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -85.37 -37.49 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.5 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.581 ' HG ' ' H ' ' A' ' 18' ' ' GLU . 52.1 p -60.86 -53.02 62.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.525 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.581 ' H ' ' HG ' ' A' ' 17' ' ' SER . 4.4 pt-20 -59.2 -6.85 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.595 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.426 ' H ' ' C ' ' A' ' 17' ' ' SER . 0.0 OUTLIER -102.66 -35.35 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.611 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.3 -25.75 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -51.95 -37.84 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.582 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -21.75 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -96.03 -57.6 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.6 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -41.94 -46.94 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -54.35 -32.14 56.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t -89.92 -48.49 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -79.84 10.26 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -90.47 9.84 76.31 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.32 19.8 19.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 1.0 110.643 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.07 -31.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.15 -36.69 5.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.413 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.9 Cg_exo -60.76 -30.85 91.08 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.22 1.947 . . . . 1.0 112.082 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.86 -40.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -62.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.467 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.8 mmt -57.31 -54.76 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.499 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -47.8 -31.73 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.547 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 54.1 t -95.16 -10.26 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.8 t80 -88.04 -57.9 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 0.57 4.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.0 mt -125.27 -26.61 3.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.395 179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.01 -2.28 48.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.19 28.86 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 1.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -135.2 -50.09 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.57 -9.57 43.38 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.525 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.6 -47.37 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 1.0 110.537 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.24 -48.97 49.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.39 -47.27 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 1.0 110.379 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.401 ' O ' ' N ' ' A' ' 51' ' ' TRP . 15.7 t -60.8 -72.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.4 mt -41.3 -27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.0 t90 -81.61 -48.94 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -66.43 -43.77 84.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.546 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.5 t -59.62 -46.77 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.791 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -55.65 -23.83 30.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.685 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.2 mtm-85 -97.94 3.59 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -23.48 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.914 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -33.28 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.173 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -30.14 45.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -12.21 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 1.0 110.634 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -139.63 79.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 2.3 t-80 -82.48 34.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 2.5 t-80 76.96 -63.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -76.57 42.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' H ' ' C ' ' A' ' 62' ' ' HIS . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.559 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.335 -0.616 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 46.31 58.1 4.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 48.59 72.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.92 50.29 0.13 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.28 84.69 0.5 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.54 42.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER 49.07 45.88 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.622 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.67 12.23 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.446 ' O ' ' O ' ' A' ' 10' ' ' TYR . 5.8 p-10 -48.9 170.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.1 t80 58.59 142.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 42.01 40.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.86 31.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.01 -28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.604 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 -19.98 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -57.65 -21.58 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -99.99 1.83 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -98.35 -48.39 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.572 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.64 -17.85 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.2 -30.32 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.614 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -91.26 -28.3 17.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 33.0 t80 -52.21 -31.4 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 p -82.91 -12.24 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.91 -44.64 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -56.86 -48.17 78.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.595 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -55.35 -20.55 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -96.14 -48.97 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.662 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.76 32.1 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.689 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.28 12.86 3.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.06 -18.23 11.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 1.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.31 -16.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.052 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 8.2 mm -80.29 -33.93 0.79 Allowed Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.54 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.7 Cg_exo -59.98 -29.55 89.59 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.053 1.835 . . . . 1.0 112.045 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.652 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -48.77 -43.25 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.449 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -61.66 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.62 -57.92 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -33.29 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.4 t -93.28 -12.6 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' MET . 20.8 t80 -80.62 -49.98 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -2.65 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.701 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 89.6 mt -125.46 0.1 7.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.487 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 7.88 4.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -149.94 18.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.714 0.292 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -128.39 -48.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.09 -7.8 32.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.674 -0.97 . . . . 1.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 13.1 m-80 -104.82 -32.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 1.0 110.518 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.43 6.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.93 -48.95 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.772 0.32 . . . . 1.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.6 t -61.41 -69.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.488 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -45.83 -26.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.562 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.628 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.2 t90 -81.32 -48.48 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -65.7 -43.78 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.0 -46.8 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.96 -14.55 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.587 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.628 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.7 4.15 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -120.02 -27.77 5.28 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.831 0.348 . . . . 1.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -37.24 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.595 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.38 -30.54 36.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.603 ' HE2' ' CE1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -58.64 -21.28 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 1.0 110.607 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.603 ' CE1' ' HE2' ' A' ' 59' ' ' HIS . 10.2 m80 -95.56 -98.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -148.72 -176.93 5.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -76.47 108.4 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 t60 49.52 40.52 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.037 -0.982 . . . . 1.0 110.547 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.23 171.47 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.95 -179.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.35 -105.43 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.85 120.37 1.15 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -144.08 48.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 1.0 110.53 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.4 -166.91 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.31 27.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -41.65 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.553 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -41.92 154.54 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.511 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 55.4 t80 41.71 42.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.6 -28.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -95.47 -25.45 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.304 . . . . 1.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.62 -17.72 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.51 HD21 ' C ' ' A' ' 11' ' ' TYR . 1.2 m-80 -50.09 -21.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.56 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -89.98 -43.32 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' TYR . 31.7 t -55.79 -45.15 78.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.0 -28.88 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -34.35 28.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.62 -5.7 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' SER . 20.7 t80 -71.34 -44.0 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.607 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -67.14 -17.92 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 26' ' ' SER . 3.3 t0 -97.08 -50.06 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.598 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -43.72 -46.25 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.53 -31.89 48.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.432 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.0 OUTLIER -90.49 -47.01 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.605 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -84.34 12.97 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.94 4.17 86.22 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 1.87 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 1.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -133.97 -0.65 3.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.8 mt -78.07 -33.3 0.96 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.809 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -58.21 -36.68 97.56 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.924 1.749 . . . . 1.0 112.08 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.48 -67.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.4 HG23 HD12 ' A' ' 34' ' ' ILE . 20.6 mt -56.38 -46.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -41.34 -52.61 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.57 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -50.84 -47.34 60.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.638 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 39.1 t -73.21 -9.3 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -97.71 -33.73 11.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.678 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -104.29 -39.49 6.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.905 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.443 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -80.47 -39.17 28.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 1.0 110.148 179.804 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -74.98 -52.99 6.49 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 2.0 m -64.19 2.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.652 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.516 ' H ' ' C ' ' A' ' 42' ' ' GLY . 54.3 m -118.26 -33.05 4.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.575 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.52 -22.19 22.28 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.671 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -95.94 -53.1 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.81 81.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.62 -49.96 74.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 1.0 110.383 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.0 t -60.32 -69.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.59 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -45.8 -28.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.478 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.4 t90 -77.74 -48.72 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -62.45 -47.54 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.519 ' C ' ' H ' ' A' ' 55' ' ' ARG . 78.5 t -58.77 -53.64 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.531 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.4 -11.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.519 ' H ' ' C ' ' A' ' 53' ' ' VAL . 5.6 mtp85 -108.46 -17.33 14.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.799 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -100.79 -25.49 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 1.0 110.523 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -104.54 -25.48 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.93 -28.94 53.4 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -60.63 -10.91 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 12.5 t-160 -140.85 24.2 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 62' ' ' HIS . 18.2 t60 -149.39 161.17 42.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.413 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.618 ' N ' ' CD2' ' A' ' 61' ' ' HIS . 8.2 t60 81.89 -136.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.355 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.456 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -72.95 38.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 1.0 110.075 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.555 ' H ' ' C ' ' A' ' 62' ' ' HIS . 36.2 t-80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.04 -0.981 . . . . 1.0 110.721 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.23 -173.36 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 70.35 129.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.08 84.73 0.06 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.58 34.72 0.82 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -156.77 59.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 53.24 83.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -146.59 46.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.5 ' O ' ' N ' ' A' ' 13' ' ' ALA . 50.1 t-20 41.51 -108.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 99.4 m-85 -41.59 146.06 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 49.27 40.68 18.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.492 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.07 -27.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.5 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -91.8 -27.61 17.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.747 0.308 . . . . 1.0 110.481 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLN . 14.5 m-20 -108.73 -16.89 14.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -17.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' ASP . 6.7 pt20 -82.19 -30.1 31.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.8 p -78.72 -41.93 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.3 -39.2 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -32.46 73.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.0 mm-40 -91.97 -24.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.6 t80 -52.98 -39.0 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -68.45 -18.77 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.632 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -95.43 -47.04 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -45.78 -54.17 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.599 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -52.56 -23.54 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.608 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.405 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.2 OUTLIER -91.93 -50.72 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.609 -179.963 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -85.85 11.28 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.84 6.72 77.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.37 1.54 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.293 . . . . 1.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -135.46 0.91 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.68 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.6 mt -77.6 -33.45 1.03 Allowed Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.768 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.3 Cg_exo -57.74 -48.72 15.61 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.93 1.753 . . . . 1.0 112.093 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.63 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.99 -54.54 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.211 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -41.99 -63.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -64.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.803 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.32 -25.26 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.009 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 91.2 t -105.99 7.76 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.88 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.8 t80 -115.12 -22.92 9.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.02 1.27 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.69 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.32 -62.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.368 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.05 9.64 58.11 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.997 -0.62 . . . . 1.0 112.06 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 29.7 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.944 0.402 . . . . 1.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -135.2 -48.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.256 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.11 -0.15 38.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.25 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 1.0 110.633 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.13 67.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.77 -51.18 71.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 t -59.77 -68.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.527 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 81.7 mt -45.59 -27.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.2 t90 -79.98 -48.19 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.644 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -65.07 -39.8 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.66 -46.09 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -14.38 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.96 3.51 18.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.96 -27.45 5.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.317 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -101.67 -33.08 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.15 -30.11 38.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -14.69 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 1.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -137.82 94.1 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -71.75 -150.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.558 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -80.86 -80.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.522 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -97.74 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 mtt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' GLU . 9.8 mm-40 -101.27 140.57 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.597 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLU . 5.9 mt-10 43.98 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.545 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.45 -71.02 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.69 178.26 51.32 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -144.51 41.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.614 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -59.78 105.42 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -146.14 -42.53 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.584 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.53 ' C ' ' H ' ' A' ' 11' ' ' TYR . 59.5 t-20 49.45 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.056 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 8' ' ' ASP . 50.9 t80 -70.06 38.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.53 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.9 t80 -172.98 38.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.145 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.92 28.82 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.71 -29.95 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 27.1 p30 -92.05 -24.49 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.536 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 33.0 m-20 -56.49 -21.24 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.63 -28.67 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.545 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 83.6 p -71.86 -55.12 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.94 -24.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 m -84.37 -32.06 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.5 mm-40 -89.17 -17.49 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.536 ' HH ' ' HZ2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -76.36 -43.6 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.558 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.532 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 t -69.05 -16.85 63.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -102.92 -42.57 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.3 t90 -46.97 -44.23 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' HZ2' ' HH ' ' A' ' 21' ' ' TYR . 1.6 mmtt -49.31 -40.17 33.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.428 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.562 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.19 4.12 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.43 -8.85 80.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.53 43.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 1.0 110.314 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -172.6 -28.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.615 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.3 mt -72.97 -33.63 2.11 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.6 Cg_exo -59.33 -30.76 93.64 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.91 1.74 . . . . 1.0 112.017 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.75 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.25 -40.01 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -61.61 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.507 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -61.36 -54.42 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -47.38 -29.92 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.528 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.07 -24.63 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.474 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.7 t80 -75.47 -58.77 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.634 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.07 0.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.474 ' H ' ' C ' ' A' ' 39' ' ' PHE . 1.9 mt -97.74 -59.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.65 9.99 66.55 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.28 32.37 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 1.0 110.54 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -136.1 -52.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.37 -12.46 41.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.607 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -76.99 -53.62 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.848 0.356 . . . . 1.0 110.589 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.607 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -61.1 -53.9 41.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 tp -49.65 -50.6 42.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 17.7 t -60.91 -73.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.495 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.8 mt -44.35 -25.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.524 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.3 t90 -80.98 -46.66 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.12 -40.9 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.446 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.25 -42.22 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -14.45 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -109.99 -13.71 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.757 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -29.24 12.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.823 0.344 . . . . 1.0 110.32 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -101.56 -25.72 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.96 -30.08 44.25 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -59.89 -59.62 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.853 0.359 . . . . 1.0 110.554 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' HIS . 52.1 m-70 -53.1 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.566 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 61.16 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' HIS . 50.1 p-80 -64.24 117.44 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.634 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 23.7 t-80 46.98 37.71 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.203 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' ND1' ' OXT' ' A' ' 64' ' ' HIS . 32.7 p80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.439 -0.578 . . . . 1.0 109.439 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.99 103.4 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -178.63 -177.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.82 132.21 7.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.61 -124.18 4.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 4.6 p30 -151.19 57.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 1.0 110.593 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.494 ' C ' ' H ' ' A' ' 9' ' ' ASN . 1.5 m-85 -48.2 176.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.632 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.34 0.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' TYR . 8.3 t-20 -56.16 -33.75 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.564 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CG ' ' OD2' ' A' ' 14' ' ' ASP . 22.0 t80 -63.23 70.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ASN . 7.2 t80 41.3 41.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.72 59.41 3.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.59 -35.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 10' ' ' TYR . 83.3 m-20 -75.82 -35.71 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -28.88 64.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -96.91 -12.06 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -89.06 -46.24 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.86 -20.6 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -34.42 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.32 -18.41 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 25.0 t80 -58.09 -37.07 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -72.25 -12.56 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -47.03 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -47.46 -49.8 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -47.82 -32.03 5.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -91.18 -45.98 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -76.73 4.56 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.585 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.95 -7.87 80.12 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.7 43.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 1.0 110.241 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp -172.32 -28.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.9 mt -72.68 -34.14 2.45 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.884 0.327 . . . . 1.0 111.884 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.0 Cg_exo -58.37 -29.35 87.95 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.945 1.763 . . . . 1.0 111.992 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.27 -41.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.5 mmt -60.39 -55.41 33.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.557 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.17 -29.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.463 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 53.7 t -96.85 -13.64 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.621 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.7 t80 -82.38 -55.63 4.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -2.81 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.481 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 89.2 mt -124.63 -5.01 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.47 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.25 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -152.55 26.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.95 -46.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.05 5.26 10.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 12.3 m-80 -103.39 -50.53 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 1.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.45 -47.05 72.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.53 -48.39 74.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.0 t -60.35 -71.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.531 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 mt -41.5 -29.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 76.7 t90 -79.0 -50.83 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -59.42 -44.78 92.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 t -57.57 -51.72 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -25.62 10.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.525 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -91.93 -15.51 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -101.07 -20.84 15.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -11.44 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.294 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.72 -33.83 23.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' HIS . 6.1 p-80 -42.94 -33.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 1.0 110.325 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' HIS . 9.5 t-80 -66.88 -123.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.67 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.609 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 32.7 m170 -99.49 -165.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 57.0 m80 -85.71 127.54 34.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 31.1 p80 42.03 38.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.243 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.642 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.77 163.08 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -172.57 93.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.21 67.28 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.89 -169.08 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.407 ' C ' ' H ' ' A' ' 8' ' ' ASP . 17.7 t0 62.99 55.01 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 1.0 110.6 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -73.84 47.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.407 ' H ' ' C ' ' A' ' 6' ' ' ASP . 6.1 m-20 -141.95 8.22 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.533 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.6 OUTLIER -52.78 171.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.524 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 t80 52.8 109.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.918 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.8 t80 79.74 40.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.524 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.37 25.42 0.05 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.3 -26.91 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 1.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -91.29 -31.61 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -52.69 -28.39 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.567 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -91.51 -17.36 25.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -88.18 -39.65 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -48.38 -22.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.69 -33.93 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -92.08 -28.88 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.542 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -51.74 -30.12 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.4 p -81.74 -14.65 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.8 -53.52 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -40.16 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -57.38 -28.74 63.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 m -99.23 -33.82 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -90.67 12.77 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.54 8.48 79.74 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 21.27 17.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.688 0.28 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -137.56 -30.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.18 -36.71 5.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.489 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.64 -42.08 42.34 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.14 1.893 . . . . 1.0 112.0 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.32 -63.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.425 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -50.69 -53.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.209 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -44.53 -52.15 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.414 179.795 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.501 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.85 -61.7 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.606 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.49 -5.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.501 ' H ' ' C ' ' A' ' 36' ' ' MET . 54.6 t -121.25 -6.48 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.632 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' TYR . 79.2 t80 -106.33 -17.19 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.796 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.431 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -117.47 -16.03 10.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.88 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.487 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -113.46 -42.92 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.874 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.49 -0.41 82.19 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -135.34 23.01 3.46 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.777 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 16.8 m -130.68 -48.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.337 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.98 -4.04 41.98 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 1.7 m-80 -100.72 -57.74 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.64 -43.71 59.58 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 1.0 110.264 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.5 t -60.46 -67.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.479 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 78.3 mt -45.91 -28.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -78.99 -48.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.8 m -62.79 -43.86 97.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.501 ' C ' ' H ' ' A' ' 55' ' ' ARG . 70.0 t -64.4 -50.11 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.53 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.1 m-85 -49.3 -12.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.494 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.501 ' H ' ' C ' ' A' ' 53' ' ' VAL . 7.3 mtp85 -103.95 -21.81 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 ptmm? -94.5 -29.38 14.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -100.78 -13.47 18.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.72 -32.56 24.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -13.03 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 1.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -138.43 90.28 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.83 -123.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -98.62 -72.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -89.44 53.96 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.564 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.62 159.96 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 4' ' ' GLY . 18.3 tt0 -53.13 161.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 3' ' ' GLU . . . -138.6 -86.69 0.16 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.11 106.3 2.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.478 ' OD2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER 178.36 61.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 1.0 110.577 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -48.12 138.23 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -37.25 26.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.665 ' ND2' ' H ' ' A' ' 10' ' ' TYR . 7.5 p-10 37.94 -122.55 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.062 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.665 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 1.1 t80 -38.82 125.57 1.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.705 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 3.1 t80 79.19 37.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.42 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.55 -23.96 0.06 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.159 -0.776 . . . . 1.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.23 -20.6 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 1.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -101.5 -20.22 15.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.508 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.99 -32.74 73.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -101.49 3.03 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' TYR . 3.4 p -101.81 -37.4 8.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.78 -26.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 t -92.06 -28.82 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 23' ' ' ASP . 32.8 tt0 -91.62 -9.52 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.23 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.5 t80 -47.04 -35.65 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 p -74.49 -21.61 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.978 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -103.73 -57.22 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.115 -179.546 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.35 -40.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.197 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 27.5 tttt -45.48 -38.72 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 1.0 110.574 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.6 t -109.11 -37.23 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 25.3 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.711 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -125.4 28.63 4.99 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.724 -0.95 . . . . 1.0 110.724 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.34 15.32 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.722 0.296 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.85 -36.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -74.06 -35.15 2.26 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.773 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.5 Cg_exo -56.41 -19.9 30.66 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.014 1.809 . . . . 1.0 112.092 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.93 -70.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.07 -46.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -42.43 -56.09 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.003 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.6 mmt -55.19 -58.31 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.215 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 tp -47.65 -41.55 22.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.294 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.31 -22.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.031 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.508 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.3 t80 -78.25 -59.49 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 1.0 110.704 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.2 0.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.508 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.6 mt -95.33 -74.01 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.3 13.66 64.52 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.451 -0.659 . . . . 1.0 111.451 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.7 26.64 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 1.0 110.571 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -129.44 -50.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.2 2.62 29.78 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -118.82 -66.24 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.851 0.357 . . . . 1.0 110.523 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -59.68 -51.27 60.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp -49.96 -46.94 52.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.678 0.275 . . . . 1.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.47 -61.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.34 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.51 -23.3 57.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.6 t90 -84.04 -40.02 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -74.5 -49.0 23.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -56.09 -35.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.517 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.78 -15.06 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.545 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 1.5 mtp85 -106.22 6.07 30.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.717 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.484 ' HZ1' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -115.28 -24.81 8.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.317 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.484 ' HZ3' ' HZ1' ' A' ' 56' ' ' LYS . 26.8 mttp -100.48 -30.66 11.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.5 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.48 -36.55 7.98 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -63.71 -31.58 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 1.0 110.542 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -67.2 -108.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.529 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 15.2 t-160 -162.33 -90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.568 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.436 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 1.6 m-70 -140.71 -31.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.586 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 43.9 m80 -128.92 42.41 3.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.597 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.416 ' ND1' ' O ' ' A' ' 63' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.595 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -100.49 139.02 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.81 171.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.46 119.93 0.91 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.72 -76.92 0.81 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -156.84 60.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 1.0 110.583 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 50.98 57.63 6.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -155.97 32.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -52.64 -80.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.567 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.68 141.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 t80 58.18 41.74 23.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.87 -29.91 0.07 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -99.98 -23.13 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.528 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -109.4 -14.11 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.11 -21.82 48.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.91 -12.62 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.503 ' C ' ' H ' ' A' ' 19' ' ' CYS . 17.6 p -95.18 -39.87 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.64 -5.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.503 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.3 t -100.94 -39.6 7.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.94 -13.97 37.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.484 ' C ' ' H ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -69.41 -42.14 75.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.411 ' H ' ' HG1' ' A' ' 22' ' ' THR . 0.0 OUTLIER -73.11 13.06 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.96 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.484 ' H ' ' C ' ' A' ' 21' ' ' TYR . 31.9 m-20 -137.15 -35.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.542 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.93 -35.65 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.543 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -52.65 -36.62 57.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -43.5 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.563 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 m -87.31 21.13 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.44 -4.39 87.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.16 31.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 1.0 110.564 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.96 -34.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 14.8 mt -56.64 -59.88 10.95 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.225 179.945 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo -53.07 -51.57 10.77 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.896 1.731 . . . . 1.0 112.099 179.69 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.9 -67.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.74 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.19 -45.82 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -52.31 -61.31 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.52 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.38 -59.09 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.586 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -48.18 -27.86 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.03 -19.02 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.465 ' C ' ' H ' ' A' ' 41' ' ' LEU . 15.5 t80 -83.37 -56.88 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -65.54 0.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.465 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.0 mt -98.32 -60.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.79 3.9 83.27 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 36.69 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 50.9 m -136.32 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 -23.38 10.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 1.0 110.502 179.883 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.51 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.68 -51.15 31.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.24 -43.86 83.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 1.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 t -59.83 -60.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.318 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.73 -27.03 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.9 t90 -79.3 -48.2 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.672 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.16 -42.4 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' LYS . 59.0 t -59.9 -43.19 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -35.64 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.631 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.0 mtm-85 -84.42 -6.74 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.671 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -18.15 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 1.0 109.904 179.601 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.7 OUTLIER -108.31 -34.29 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -76.63 -25.36 65.37 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' C ' ' H ' ' A' ' 61' ' ' HIS . 1.5 t-80 -59.18 -19.05 41.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.674 -179.94 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -79.52 35.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.462 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 81.2 m-70 -56.12 -110.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.509 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -102.31 -69.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.495 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.461 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 6.5 p80 -90.32 60.48 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.582 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -138.44 62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.597 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 62.09 -171.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.67 -124.99 1.62 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.86 -51.26 0.77 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.81 67.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 1.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -51.33 170.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 10' ' ' TYR . 62.0 m-20 -84.2 8.8 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' OD1' ' CB ' ' A' ' 13' ' ' ALA . 39.3 t-20 41.36 -93.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' ASP . 4.0 m-85 -41.89 154.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.509 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 42.98 39.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.472 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.29 27.18 0.02 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' A' ' 9' ' ' ASN . . . -127.99 -27.96 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 1.0 110.547 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.31 -28.02 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -27.21 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 6.5 pt20 -95.52 -16.19 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 20' ' ' GLU . 54.4 p -79.19 -39.79 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.579 -179.99 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -45.6 -39.33 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.51 -30.41 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.539 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 5.5 mp0 -90.76 -26.16 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.525 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -59.29 -25.27 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -88.85 -49.07 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.1 t90 -41.66 -57.26 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 15.0 tttp -47.3 -28.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -90.41 -49.04 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.3 3.29 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.64 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.1 -7.55 80.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.59 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 1.0 110.296 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp -171.14 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.009 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.1 mt -72.38 -34.14 2.6 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.0 Cg_exo -58.94 -29.1 89.54 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.938 1.759 . . . . 1.0 111.989 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -67.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.92 -40.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.57 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -58.39 -55.64 32.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 tp -46.92 -33.11 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 179.897 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.1 t -93.06 -12.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.938 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' MET . 11.3 t80 -82.31 -53.7 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -0.93 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.725 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 92.2 mt -126.07 -4.36 6.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.447 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.82 6.76 6.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 11.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 1.0 110.646 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -122.12 -34.73 3.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.55 23.93 4.2 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 14.0 m-80 -135.87 -44.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 1.0 110.485 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.98 37.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.79 -50.83 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 1.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.0 t -58.73 -68.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.493 179.979 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.5 mt -44.28 -29.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.515 179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -79.79 -45.14 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.3 m -66.38 -45.86 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.67 -46.15 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -18.67 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.506 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -96.29 -10.06 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 -28.61 10.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.301 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -23.0 22.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.49 -28.27 57.86 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -27.02 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 61.9 m80 -101.95 -70.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.619 ' ND1' ' ND1' ' A' ' 62' ' ' HIS . 9.2 t-80 78.37 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.149 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.674 ' CD2' ' H ' ' A' ' 63' ' ' HIS . 8.0 p-80 -60.57 -99.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.446 -179.282 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.674 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 71.8 t60 -73.0 40.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 1.0 110.267 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' H ' ' C ' ' A' ' 62' ' ' HIS . 18.6 p80 . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.671 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' MET . 33.8 mt-10 42.42 -164.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 60.53 161.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.517 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 -94.92 0.22 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.71 -72.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.65 43.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 1.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -101.44 -177.1 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.545 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 44.71 31.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -41.54 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -43.04 155.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.6 t80 42.72 40.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.99 28.11 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.77 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.816 0.341 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 30.6 p30 -95.5 -27.6 15.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 3.2 m-80 -51.6 -26.95 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.8 pt20 -92.58 -38.16 12.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.418 ' N ' ' CG ' ' A' ' 16' ' ' GLN . 7.0 p -61.26 -39.11 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 8.8 mt-10 -41.38 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -41.07 -26.92 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.576 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -86.38 -35.28 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' GLU . 22.0 t80 -51.58 -31.91 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.577 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -77.73 -18.3 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 -54.99 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -47.99 5.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -48.8 -32.13 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.665 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -94.56 -42.43 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -76.0 5.62 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.6 -9.87 77.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.44 43.3 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 1.0 110.332 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -173.14 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 20.9 mt -71.82 -33.97 2.8 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 111.814 0.301 . . . . 1.0 111.814 -179.766 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.5 Cg_exo -60.47 -48.35 11.64 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.937 1.758 . . . . 1.0 112.052 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.62 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.554 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.97 -54.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.243 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -42.28 -64.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.253 179.723 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -64.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -52.3 -25.65 10.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.929 -179.641 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 83.7 t -106.13 7.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.035 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.4 t80 -113.93 -25.24 8.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -102.99 1.93 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.643 -179.974 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -101.64 -61.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.85 7.35 57.38 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 121.047 -0.597 . . . . 1.0 112.034 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 28.46 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -136.52 -46.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.55 -6.11 53.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -87.46 -48.98 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.33 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.598 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.62 -51.82 44.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -51.64 -51.2 57.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 14.8 t -59.93 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.442 -179.982 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.1 mt -43.69 -29.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.269 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -76.84 -47.37 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.6 m -61.92 -52.12 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.462 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 57' ' ' LYS . 7.1 t -51.77 -52.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.448 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.0 -30.84 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 1.0 110.244 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -80.78 -18.43 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.258 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -102.96 -18.07 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.437 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -108.71 -13.09 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.03 -31.57 25.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -58.33 -12.39 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 1.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -139.38 84.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 9.0 t60 -98.83 -82.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 8.8 t60 -145.97 104.09 3.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.604 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 11.7 t60 49.47 40.23 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 54.7 t-80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.71 146.66 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -172.88 145.63 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.67 -125.16 0.4 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.1 153.72 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -148.2 42.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 1.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 9' ' ' ASN . 97.4 m-85 -151.24 74.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.57 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p30 41.52 22.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.586 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' PHE . 32.2 m120 -58.89 172.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.525 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 61.3 t80 41.18 31.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.46 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -174.35 39.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.353 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.14 29.51 0.05 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.27 -28.06 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 1.0 110.574 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.26 -23.73 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -58.55 -29.27 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -103.08 24.04 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -128.6 -39.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -55.47 -20.7 13.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.607 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.5 m -86.08 -31.93 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.41 ' O ' ' N ' ' A' ' 23' ' ' ASP . 33.2 tt0 -92.0 -19.71 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.523 -179.979 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -50.63 -33.26 21.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -79.75 -15.21 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.41 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.4 OUTLIER -98.79 -54.83 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.982 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.21 -45.16 5.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.721 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -47.47 -33.09 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -99.34 -43.21 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -94.34 31.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.538 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.64 23.78 4.44 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.75 13.21 5.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 1.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.97 -36.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.7 mt -76.68 -35.02 1.4 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.799 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.0 Cg_endo -79.77 -20.95 8.77 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.084 1.856 . . . . 1.0 112.135 -179.33 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.04 -61.74 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.446 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.22 -48.25 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.301 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.64 -46.05 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.094 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.457 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -70.96 -58.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.539 179.688 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.9 tp -47.39 -36.28 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.61 -179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 t -82.38 -31.06 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.993 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.489 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.1 t80 -70.39 -60.02 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.818 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.87 0.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.709 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.489 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.3 mt -94.25 -69.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.48 7.97 80.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -129.49 34.53 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 1.0 110.541 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 m -137.33 -51.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.405 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.48 -11.13 39.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.588 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.98 -54.5 5.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 1.0 110.533 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.588 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.01 -49.22 77.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 tp -54.86 -51.65 65.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 1.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.7 t -58.97 -70.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.481 179.921 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 88.1 mt -45.36 -29.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.372 179.906 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 77.4 t90 -78.49 -44.17 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -69.47 -55.5 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.261 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -48.41 -48.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.353 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -53.86 -53.7 48.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.31 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.611 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 3.8 mtp85 -68.06 -20.3 64.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.163 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -76.14 -53.25 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.382 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.94 -18.92 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.88 -31.03 45.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.63 -35.18 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 1.0 110.621 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.59 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 33.9 t-80 -69.5 -118.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.551 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.59 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 9.9 t-160 -160.3 -31.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 26.8 t-80 -170.24 141.98 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.561 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.531 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 33.9 p80 41.91 38.2 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.088 0.471 . . . . 1.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 54.9 p-80 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.505 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -90.73 85.28 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.584 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -48.08 151.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 114.38 0.61 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.13 -103.3 0.4 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.58 42.76 31.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 1.0 110.547 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -100.68 118.05 36.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.642 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.02 14.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' TYR . 9.2 m120 -53.07 163.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.4 t80 58.67 140.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.947 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 t80 41.8 40.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.7 -30.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.09 -22.1 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.325 . . . . 1.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -109.07 -16.1 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.464 ' O ' ' SG ' ' A' ' 19' ' ' CYS . 0.2 OUTLIER -56.15 -24.78 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.542 -179.999 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.513 HE21 ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -79.92 -23.29 41.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.631 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -82.51 -53.12 6.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.604 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.464 ' SG ' ' O ' ' A' ' 15' ' ' ASN . 59.7 m -74.36 -33.37 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.575 179.985 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' SER . 9.2 mt-10 -96.85 -13.72 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -56.12 -33.69 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -74.96 -16.56 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -50.02 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -43.61 -52.23 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.537 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -47.14 -27.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -45.84 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 m -82.94 13.27 4.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -87.12 -8.07 76.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 1.0 110.183 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -172.26 -28.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.047 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 9.5 mt -70.19 -35.47 5.04 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.635 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.66 -23.36 71.22 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.914 1.743 . . . . 1.0 111.976 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -67.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.464 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.5 mp -59.68 -28.4 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.395 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -69.6 -48.58 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.551 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -48.76 -62.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.64 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -50.4 -40.52 50.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.343 179.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.52 -5.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.637 -179.989 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -100.91 -29.73 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.729 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -97.08 -16.74 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.997 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.466 ' C ' ' CD1' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -107.08 -29.62 9.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.833 0.349 . . . . 1.0 110.284 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.34 -1.64 60.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.98 26.49 3.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 1.0 110.772 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 53.3 m -133.18 -48.74 0.85 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.45 179.909 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.47 -2.52 43.99 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -94.46 -51.78 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.662 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.23 -45.92 94.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.77 -47.6 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.324 . . . . 1.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.5 t -61.39 -70.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 -179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -41.75 -31.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.533 -179.945 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.4 t90 -75.29 -50.92 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -63.52 -40.65 97.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.2 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.682 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -14.73 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.6 5.83 21.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.89 -28.41 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.33 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -100.93 -32.23 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.93 -30.48 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -15.03 24.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 1.0 110.568 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -138.04 94.37 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.602 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' HIS . 12.9 m170 -80.62 17.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.5 m80 55.41 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 61' ' ' HIS . 2.9 m-70 -88.14 41.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.0 m80 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.563 179.964 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.09 -177.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -172.76 45.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.526 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.99 111.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.81 -113.77 1.6 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.504 ' OD1' ' N ' ' A' ' 6' ' ' ASP . 18.4 p-10 -151.01 58.08 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 1.0 110.623 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.478 ' C ' ' H ' ' A' ' 9' ' ' ASN . 49.6 m-85 -73.89 -162.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.22 10.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.607 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' C ' ' H ' ' A' ' 11' ' ' TYR . 2.6 m120 -44.59 -68.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -70.96 39.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 9' ' ' ASN . 7.4 t80 -164.46 41.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.87 26.97 0.02 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.38 -26.44 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 1.0 110.685 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 20.0 p-10 -93.04 -32.86 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -47.02 -31.89 3.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -85.54 -35.38 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' TYR . 9.5 p -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.3 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.612 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.0 m -51.56 -29.42 17.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.645 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 3.9 tt0 -99.45 19.0 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' SER . 47.6 t80 -86.77 -39.4 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.376 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -68.75 -12.96 62.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.75 -47.88 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.34 -46.24 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.926 -179.688 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.6 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 17.9 ttpt -45.94 -35.8 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.626 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -100.88 -42.43 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.769 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 p -96.44 32.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.584 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.52 28.74 2.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.78 9.65 3.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 1.0 110.606 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.4 -35.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.762 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -74.27 -35.77 2.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.769 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.4 Cg_exo -55.33 -24.59 43.39 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.062 1.841 . . . . 1.0 112.254 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.89 -66.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.617 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -40.12 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.155 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -50.9 -56.24 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.688 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 mmt -46.09 -61.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.654 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.83 -31.06 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 85.0 t -96.82 -6.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.498 -179.964 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 16.9 t80 -90.62 -59.0 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -5.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.752 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.1 mt -123.6 -5.98 8.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.545 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -138.75 17.29 3.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.465 ' CG2' ' O ' ' A' ' 43' ' ' THR . 88.1 m -158.26 19.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.593 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.3 -49.24 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.085 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.56 -2.21 30.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.562 -1.015 . . . . 1.0 110.562 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.6 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.55 -54.04 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 1.0 110.512 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.6 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.66 -57.56 12.3 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -45.69 -48.3 15.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.675 0.274 . . . . 1.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 6.6 t -62.67 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.543 179.936 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.2 mt -53.79 -21.41 7.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.507 179.891 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.474 ' N ' ' O ' ' A' ' 47' ' ' GLY . 77.2 t90 -83.99 -43.78 14.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.462 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -70.3 -49.55 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.66 -43.6 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.73 -16.19 37.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -104.69 -5.82 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.714 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -27.17 10.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.446 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -102.65 -29.23 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.599 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.26 -29.06 34.6 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -57.67 -47.08 83.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' A' ' 62' ' ' HIS . 64.0 m-70 -84.15 -98.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 56.32 -78.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.038 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 60' ' ' HIS . 1.4 m-70 -101.99 136.37 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.735 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.482 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 8.3 t-80 46.99 38.19 5.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.326 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 46.8 p-80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.005 -0.997 . . . . 1.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.455 ' H ' ' CG ' ' A' ' 1' ' ' MET . 5.6 mt-10 -74.13 136.82 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -173.1 99.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.37 -41.27 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.04 30.74 9.79 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.28 42.09 32.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 1.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 t80 49.29 53.81 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ASN . 45.2 t0 -155.36 52.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER 49.41 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.16 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.36 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' ASN . 47.5 m-85 44.09 39.96 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.17 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 49.58 8.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.7 -29.24 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.57 -27.94 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.529 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -24.47 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -101.31 -15.96 17.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.615 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' TYR . 6.9 t -83.04 -38.02 23.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' O ' ' N ' ' A' ' 21' ' ' TYR . 56.1 mt-10 -56.03 -67.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.502 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -42.27 -29.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.0 -27.43 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.3 t80 -50.91 -30.03 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -81.89 -16.8 49.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -98.53 -54.12 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.575 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -44.49 -42.69 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.615 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -48.85 -31.58 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -102.08 -42.6 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.66 30.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -129.24 25.01 4.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.32 17.34 3.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.666 0.27 . . . . 1.0 110.547 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.21 -36.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -72.67 -35.41 3.04 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.521 179.839 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.5 Cg_exo -59.92 -28.47 87.22 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.045 1.83 . . . . 1.0 112.039 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.89 -69.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.74 -43.01 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.098 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -56.82 -63.27 1.26 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.383 179.82 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -43.88 -57.8 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.536 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 tp -49.52 -43.69 45.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.459 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 97.3 t -86.09 0.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.819 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.6 t80 -98.45 -32.36 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.423 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -89.8 -25.58 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.693 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -105.57 -30.46 9.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.44 -0.2 79.89 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.97 17.85 3.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.614 0.245 . . . . 1.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 46.5 m -129.07 -44.14 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.572 179.831 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.33 -1.44 47.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -99.2 -48.29 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 1.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.87 -51.29 35.67 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.39 -49.04 62.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.308 . . . . 1.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.0 t -59.7 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.605 -179.957 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -41.91 -31.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.538 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -77.05 -50.9 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.512 ' C ' ' H ' ' A' ' 55' ' ' ARG . 29.5 t -61.91 -51.63 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -50.07 -10.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.512 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.2 mtp85 -107.79 -18.43 13.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.797 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.14 -27.65 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.394 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -102.62 -26.09 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.19 -29.3 50.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -13.11 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 1.0 110.624 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CD2' ' ND1' ' A' ' 64' ' ' HIS . 15.2 t-160 -139.48 94.47 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.512 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 33.2 p80 -89.87 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CG ' ' C ' ' A' ' 61' ' ' HIS . 8.0 m-70 69.69 130.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.578 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 51.35 56.88 7.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.607 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 1.5 pm0 -138.16 41.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.48 73.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . 78.62 76.2 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.8 30.58 1.01 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -156.02 56.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.631 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.15 115.12 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -136.25 33.01 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.506 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 10' ' ' TYR . 95.0 m-20 -56.12 -169.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' ASN . 3.4 t80 52.02 105.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.818 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 t80 61.03 59.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.53 -23.94 0.12 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 -22.87 12.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 1.0 110.323 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -103.3 -17.38 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.225 179.801 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.06 -29.29 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.511 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 9.43 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' TYR . 21.0 p -122.49 -52.37 1.93 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.516 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' N ' ' HG ' ' A' ' 17' ' ' SER . 4.8 pt-20 -57.07 -25.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.523 -179.947 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t -85.6 -34.95 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.695 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 3.3 mm-40 -94.09 -2.93 52.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.239 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' SER . 30.9 t80 -48.15 -30.75 4.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.75 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.6 p -78.57 -22.36 47.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.661 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -101.83 -57.64 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.77 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -39.95 -42.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.835 -179.867 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 10.7 ttpt -49.91 -37.61 32.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.7 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 74.2 m -98.26 -42.27 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -102.92 48.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.6 3.63 3.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.72 34.05 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 1.0 110.316 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -172.99 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.033 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.4 mm -73.96 -32.89 1.6 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.707 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.66 -21.36 69.04 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.766 1.644 . . . . 1.0 112.038 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -69.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 mt -57.81 -47.66 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.144 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -55.84 3.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.13 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -63.16 -51.14 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.371 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.8 tp -49.74 -39.82 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.383 179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.6 -20.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.956 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -77.67 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.761 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.03 -9.08 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 2.3 mt -81.64 -59.01 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.285 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -68.82 -55.0 12.02 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.408 ' O ' ' CG2' ' A' ' 43' ' ' THR . 12.9 m -47.79 -12.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.669 -0.312 . . . . 1.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.528 ' H ' ' C ' ' A' ' 42' ' ' GLY . 3.3 m -109.69 -26.61 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -114.96 17.01 17.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -139.86 -46.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.35 -179.926 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.578 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -67.86 -50.84 38.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.22 -52.62 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 1.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.0 t -60.52 -68.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.468 179.867 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 90.1 mt -49.53 -24.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.422 179.872 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' GLY . 74.7 t90 -79.81 -41.02 27.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.457 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -69.36 -49.5 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.42 -45.71 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.488 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -21.57 15.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 7.3 mtp85 -96.96 -5.35 38.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.695 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 -19.84 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -23.36 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.385 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.93 -27.86 59.75 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -18.21 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 1.0 110.538 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -96.93 59.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -137.27 27.73 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 66.55 105.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 9.5 t60 49.53 40.92 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.375 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 44.0 p-80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.619 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 44' ' ' THR . 9.0 ttt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.75 67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -115.44 144.62 43.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.79 133.08 1.77 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' O ' ' OD1' ' A' ' 6' ' ' ASP . . . -50.85 -71.29 0.66 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 5' ' ' GLY . 1.9 p-10 42.02 36.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.157 0.503 . . . . 1.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 16.7 p90 -87.1 127.17 35.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.605 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -159.67 -47.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.512 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.684 ' ND2' ' H ' ' A' ' 10' ' ' TYR . 3.7 p-10 33.56 -89.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.568 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.684 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 24.1 p90 -40.25 136.81 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.757 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.6 t80 48.16 41.15 15.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 6.31 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.97 -22.68 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.761 0.315 . . . . 1.0 110.438 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.01 -16.01 16.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.21 -27.82 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.71 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -92.04 -32.03 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' TYR . 37.1 m -80.16 -36.38 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' TYR . 5.4 mt-10 -41.61 -71.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -43.05 -36.33 1.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.73 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.34 34.73 3.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.773 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.9 t80 -98.49 -44.39 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.311 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -66.43 -11.35 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.402 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.93 -52.3 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.589 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -40.68 -42.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.783 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -46.84 -37.4 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -13.95 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.402 ' N ' ' O ' ' A' ' 23' ' ' ASP . 19.9 m -111.21 20.21 17.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.9 -10.3 75.89 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.72 41.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.0 110.323 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -174.11 -28.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.952 -179.834 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.1 mt -71.62 -34.38 3.11 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.865 0.321 . . . . 1.0 111.865 -179.722 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.3 Cg_exo -58.95 -44.2 37.24 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.868 1.712 . . . . 1.0 111.938 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mm -52.09 -52.86 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.366 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -41.69 -55.24 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.26 179.885 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.44 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -53.29 -65.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.695 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.96 -179.573 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 99.5 t -116.07 8.62 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' TYR . 75.7 t80 -122.7 -16.83 7.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.014 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.64 0.48 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.692 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.13 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.98 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.96 4.53 65.59 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.104 -0.57 . . . . 1.0 111.689 -179.299 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.31 31.53 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.844 0.354 . . . . 1.0 110.64 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.6 m -131.84 -42.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.24 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.0 17.59 5.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -123.37 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.344 . . . . 1.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.72 -49.41 76.52 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 tp -49.98 -51.71 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.8 t -59.2 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.541 179.88 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.4 mt -46.83 -27.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 179.904 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -78.77 -45.38 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' LYS . 15.5 m -66.66 -51.54 54.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -53.69 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.42 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -49.06 -46.17 44.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.462 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -77.04 -26.78 54.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.494 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.6 tptm -63.27 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -84.33 -13.55 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.23 -30.45 37.5 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -17.17 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 1.0 110.588 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -89.8 -116.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -154.88 -66.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.558 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.632 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 33.6 p-80 -162.76 -59.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.632 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 54.8 t-80 -101.82 42.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.54 179.985 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -96.61 -169.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.619 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.52 171.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.65 73.45 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.35 -172.54 15.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -160.35 54.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 1.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.78 112.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.9 -35.12 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' CG ' ' H ' ' A' ' 10' ' ' TYR . 14.7 t-20 42.53 -158.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 179.913 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.1 t80 48.33 -152.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.646 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -59.44 74.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.578 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -178.24 -30.59 0.05 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.51 -1.036 . . . . 1.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.18 -22.12 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 1.0 110.355 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -107.11 -17.75 14.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.84 -27.33 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -87.11 -5.99 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 52.7 p -91.55 -60.13 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.598 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OG ' ' A' ' 17' ' ' SER . 8.5 mt-10 -45.62 -52.44 10.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -54.81 -30.08 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -91.77 -11.72 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.16 -61.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 p -53.69 -16.47 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -48.03 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.29 -48.74 9.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.568 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -48.01 -28.78 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.57 -41.22 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 m -78.27 6.05 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -88.45 3.82 85.25 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.75 37.5 2.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 1.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.5 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -75.38 -32.54 1.24 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.809 -179.848 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.6 Cg_exo -59.03 -37.47 92.91 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.819 1.68 . . . . 1.0 112.049 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.61 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.93 -55.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -49.22 4.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.35 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.0 mmt -69.34 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.605 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -46.94 -14.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.707 -179.868 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.48 ' H ' ' C ' ' A' ' 36' ' ' MET . 24.1 t -104.38 -21.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.678 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' MET . 71.6 t80 -95.64 -12.21 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.778 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.433 ' C ' ' CD1' ' A' ' 40' ' ' LEU . 4.3 pp -103.9 -6.18 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 1.0 110.203 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.7 -46.47 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.47 2.82 59.23 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.1 -0.572 . . . . 1.0 111.711 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -131.5 27.2 4.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 1.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 36.1 m -131.16 -48.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.11 -5.86 32.46 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -101.69 -56.23 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 1.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.63 -45.44 93.26 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.53 -48.57 78.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 1.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 t -60.78 -70.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.555 179.992 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.7 mt -42.59 -30.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 -179.988 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.3 t90 -76.07 -50.64 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.87 -41.6 97.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.476 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.38 -45.68 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.696 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -14.7 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.619 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.67 5.52 21.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -27.16 5.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.324 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -34.71 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.07 39.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -57.31 -21.98 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.0 110.573 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.582 ' N ' ' CD2' ' A' ' 59' ' ' HIS . 12.4 t-80 -46.53 -42.09 15.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.464 ' NE2' ' ND1' ' A' ' 60' ' ' HIS . 24.8 m80 -139.35 -160.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' N ' ' ND1' ' A' ' 62' ' ' HIS . 0.8 OUTLIER -97.28 -60.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.558 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 26.1 p80 -101.03 41.62 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 m170 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.502 179.944 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.387 -0.597 . . . . 1.0 109.387 . . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.6 mp0 -98.96 142.99 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.37 165.88 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.68 137.77 9.95 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.14 168.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -162.72 55.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 1.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -85.18 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.27 43.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.594 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.433 ' O ' ' O ' ' A' ' 10' ' ' TYR . 2.6 p-10 -51.06 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 58.46 128.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.992 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 51.12 40.2 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.284 0.564 . . . . 1.0 110.266 -179.861 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 25.38 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.68 -27.81 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 1.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.6 -24.41 17.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -25.44 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -91.69 -26.05 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -50.56 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -48.33 -27.63 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -92.49 -17.06 25.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 28.2 t80 -69.23 -48.22 62.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.514 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -59.61 -15.22 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -47.87 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.7 t90 -44.68 -41.85 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -49.97 -36.09 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -43.89 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -69.83 -11.08 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.602 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -82.74 5.63 73.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.95 -3.87 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 1.0 110.617 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -131.37 -4.04 3.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.2 mt -79.78 -33.31 0.79 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.717 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.8 Cg_exo -58.06 -27.57 80.14 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.945 1.763 . . . . 1.0 111.986 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.49 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.549 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.6 -42.98 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -57.75 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.552 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -48.78 -26.66 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.667 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.32 -21.6 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.601 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' C ' ' H ' ' A' ' 41' ' ' LEU . 28.5 t80 -79.85 -58.07 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.38 1.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.0 mt -99.46 -65.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.91 11.78 71.34 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.106 -0.798 . . . . 1.0 111.106 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.82 31.71 3.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.833 0.349 . . . . 1.0 110.553 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -135.07 -50.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.427 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.97 -12.44 31.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.614 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.73 -54.15 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 1.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.614 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.69 -47.31 90.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.28 -45.32 91.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.734 0.302 . . . . 1.0 110.413 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 8.1 t -64.17 -69.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 97.1 mt -41.73 -33.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.264 179.77 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 79.7 t90 -70.61 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.794 179.545 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -53.45 -50.77 64.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.367 179.522 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.51 -45.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -31.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 1.1 mmt180 -91.63 -30.39 16.37 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.223 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -59.3 -57.87 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -81.93 -25.05 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.83 -25.83 72.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -50.84 -26.78 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 1.0 110.514 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -58.09 -21.12 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 63' ' ' HIS . 5.9 m170 -92.52 16.65 11.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.602 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 55.19 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.516 ' N ' ' O ' ' A' ' 61' ' ' HIS . 2.5 p-80 -88.06 41.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.481 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.515 ' OXT' ' CG ' ' A' ' 64' ' ' HIS . 37.3 t-80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.575 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.9 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.537 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.434 ' C ' ' H ' ' A' ' 5' ' ' GLY . 4.8 pt-20 -54.77 159.46 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.74 39.79 1.56 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.434 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . -158.84 170.58 35.34 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' PHE . 46.0 t0 -141.48 43.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 1.0 110.6 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . 2.3 m-85 54.12 167.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.562 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 46.8 m-20 -74.61 -15.36 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 45.73 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.915 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 90.5 t80 41.76 94.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.642 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 78.64 41.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 -28.16 0.04 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.11 -27.15 17.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 1.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.37 -12.41 14.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -13.58 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.79 -10.53 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.628 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.491 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -98.02 -51.15 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.63 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -48.91 -12.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' H ' ' C ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -86.37 -35.65 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.24 -37.71 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.4 t80 -51.03 -33.57 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.05 13.26 4.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' SER . 10.5 m-20 -136.18 -29.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.412 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.11 -53.43 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.353 179.846 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 14.5 ttpt -47.87 -37.34 13.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.989 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.603 ' HG ' ' CA ' ' A' ' 29' ' ' ALA . 29.4 t -101.19 -8.63 22.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.139 179.71 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ASP . 23.0 t 51.78 50.93 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.057 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.9 -4.07 54.56 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.603 ' CA ' ' HG ' ' A' ' 26' ' ' SER . . . 59.57 16.06 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 -179.258 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.0 -38.63 3.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.636 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.3 mt -73.14 -34.24 2.28 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.512 179.339 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.4 Cg_exo -62.83 -31.63 77.92 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.102 1.868 . . . . 1.0 112.009 -179.619 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -71.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.65 -45.83 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.3 mmt -56.66 -55.51 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 tp -48.04 -30.17 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.62 -179.921 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.438 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 42.9 t -96.81 -9.95 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.707 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' MET . 15.6 t80 -89.02 -57.56 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.636 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 1.02 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.696 -179.842 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 95.7 mt -124.85 -28.57 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.36 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.55 0.42 58.18 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -135.07 17.58 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.691 0.282 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -127.71 -46.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.221 179.848 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.43 17.92 23.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 41.3 m-80 -133.82 -62.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 1.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.87 62.34 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.05 -52.93 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.778 0.323 . . . . 1.0 110.327 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.03 -60.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.527 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.54 -23.7 28.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.2 t90 -82.64 -44.79 15.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -71.72 -47.57 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.473 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.92 -35.06 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.29 -17.69 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.3 mtm-85 -107.18 -4.24 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.741 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -29.09 10.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -101.54 -25.69 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.03 -32.92 25.03 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.513 ' ND1' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -61.37 -12.06 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 110.644 -179.883 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 30.2 m80 -142.47 73.32 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -101.63 -22.99 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 60.7 t60 -174.06 -102.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.598 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 48.4 t-80 -100.82 43.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.2 m170 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.974 -1.012 . . . . 1.0 110.615 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.6 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER 54.88 -173.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.557 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -169.52 130.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.518 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.95 -120.53 0.95 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.86 -42.04 1.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -151.82 45.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 1.0 110.436 179.939 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.17 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' ASP . 93.7 m-20 -66.97 -55.91 12.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.476 179.863 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 52.53 167.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.963 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' ASN . 1.5 t80 37.47 31.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.727 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASN . 8.6 t80 -174.32 39.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.94 23.91 0.03 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.08 -31.24 5.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.4 p-10 -96.35 -27.45 14.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.621 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.37 -21.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 14' ' ' ASP . 8.6 pt20 -90.96 -25.87 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ASP . 8.9 t -71.42 -43.06 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.09 -15.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' N ' ' C ' ' A' ' 17' ' ' SER . 74.1 m -68.54 -27.29 65.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.606 -179.861 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.9 mm-40 -91.2 -6.59 53.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 35.3 t80 -49.21 -28.73 4.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.68 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.4 ' H ' ' HG1' ' A' ' 22' ' ' THR . 1.4 p -80.54 -20.84 42.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.707 -179.93 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.0 m-20 -105.74 -57.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -37.98 -33.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.139 -179.904 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 32.6 tttm -50.07 -42.15 49.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.586 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -111.36 -35.3 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -108.84 48.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' O ' ' CD ' ' A' ' 32' ' ' PRO . . . -129.3 -5.64 4.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.51 26.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 1.0 110.522 179.871 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -168.03 -28.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.286 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.503 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 6.7 mt -66.95 -40.06 26.88 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.256 0.465 . . . . 1.0 112.256 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 87.9 Cg_exo -45.28 -26.1 2.32 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.791 1.661 . . . . 1.0 112.304 -179.294 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -64.94 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.305 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.502 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.4 mp -66.27 -26.24 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.192 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -68.92 -56.86 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.313 179.811 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.41 ' O ' ' CD2' ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.62 -61.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.29 -38.82 54.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.434 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 91.3 t -88.65 2.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' TYR . 36.3 t80 -97.29 -55.76 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.568 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 36' ' ' MET . 0.3 OUTLIER -72.75 -5.74 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 83.3 mt -123.45 -12.29 7.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.549 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.73 -6.22 6.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 3.0 m -136.68 32.04 2.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -128.93 -47.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.063 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.36 15.41 6.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.346 -1.102 . . . . 1.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 44.5 m-80 -123.72 -59.47 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 1.0 110.592 -179.793 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 -49.96 67.83 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.48 -50.17 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 1.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.2 t -60.96 -70.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.497 -179.995 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.2 mt -44.11 -27.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.464 179.873 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.54 -48.21 13.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.561 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.08 -43.05 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.7 t -59.89 -46.5 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.9 -16.02 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mtm-85 -107.93 4.75 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.709 -179.76 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 -25.53 5.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -103.39 -23.95 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.41 -29.71 48.26 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -63.2 -11.13 18.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 1.0 110.536 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -148.36 66.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.587 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 62' ' ' HIS . 1.6 t60 -159.45 134.55 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' HIS . 16.0 t60 58.37 127.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.685 -179.848 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 49.28 50.31 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.882 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.947 -1.025 . . . . 1.0 110.786 -179.428 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmm . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 41.79 -162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.565 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -179.31 177.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . 145.04 135.94 2.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 4' ' ' GLY . . . -58.25 -117.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 17.3 p-10 -159.95 60.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 1.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.423 ' C ' ' H ' ' A' ' 9' ' ' ASN . 0.4 OUTLIER 47.41 -167.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.982 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.3 t0 -55.97 -10.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 17.7 t-20 41.34 -94.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 2.5 m-85 -43.83 140.69 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.448 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 61.51 38.73 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.412 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.37 26.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.75 -30.0 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 1.0 110.315 179.856 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.432 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.1 m-20 -101.78 -24.31 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -48.59 -20.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.14 -26.01 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.0 p -70.74 -40.42 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.527 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -42.05 -24.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -82.67 -36.76 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.9 mm-40 -99.32 2.29 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.6 t80 -75.44 -66.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p -49.15 -21.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -48.05 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.512 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -45.44 -50.46 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -47.3 -25.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.578 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -101.76 -45.26 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -87.77 22.8 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.41 33.83 2.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.05 3.77 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 1.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.42 -36.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.808 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -74.0 -35.34 2.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.56 179.922 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.4 Cg_exo -59.93 -35.52 93.24 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.138 1.892 . . . . 1.0 112.08 -179.798 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.95 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . 0.424 ' CD1' ' N ' ' A' ' 34' ' ' ILE . 1.6 mp -50.51 -52.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -41.51 -58.05 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.427 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -51.21 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.637 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.48 -13.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.654 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.469 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 93.6 t -116.91 5.39 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.645 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 52.1 t80 -119.04 -13.62 9.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.758 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.1 pp -122.14 -18.14 6.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.426 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.3 OUTLIER -112.06 -45.82 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.736 179.85 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.66 -0.98 85.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.478 ' O ' ' CG2' ' A' ' 43' ' ' THR . 85.0 m -131.31 19.96 4.83 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.768 0.318 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 91.9 m -125.23 -37.1 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.454 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.26 23.03 4.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -135.26 -43.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 1.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -43.07 39.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.27 -49.58 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.41 ' O ' ' N ' ' A' ' 51' ' ' TRP . 16.2 t -60.67 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 9.1 mt -42.14 -26.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.572 179.979 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.636 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.0 t90 -83.46 -47.94 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.629 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.46 -43.98 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.51 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.9 -48.66 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.671 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.24 -16.73 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.636 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.8 mtm-85 -103.84 -9.65 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.646 -179.841 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -105.81 -24.27 12.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.114 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -97.74 -19.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.707 179.36 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.42 -47.18 92.13 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 109.81 -1.316 . . . . 1.0 109.81 179.221 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -165.06 22.11 0.05 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.378 . . . . 1.0 110.283 179.648 . . . . . . . . 3 3 . 1 . 034 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 23.7 p80 40.21 26.94 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.203 -179.761 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.648 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.7 t-160 -102.89 -135.57 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.648 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 2.0 m-70 -100.94 -79.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 36.6 t-80 -100.47 43.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 31.2 p80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -81.01 132.47 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.631 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.516 ' OE2' ' ND1' ' A' ' 59' ' ' HIS . 2.2 tp10 -172.57 56.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 -179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.13 68.51 0.12 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.19 -74.18 1.28 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t0 61.77 53.77 3.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.754 0.311 . . . . 1.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -159.5 87.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.582 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -150.81 14.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' N ' HD21 ' A' ' 9' ' ' ASN . 1.4 m-80 -59.67 -92.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.579 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.69 133.69 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.552 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 66.66 41.31 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -22.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.35 -28.05 16.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.832 0.348 . . . . 1.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.99 -15.56 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.288 179.819 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -20.37 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.479 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -100.51 -1.22 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.646 ' HG ' ' N ' ' A' ' 18' ' ' GLU . 17.8 p -98.38 -37.85 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.646 ' N ' ' HG ' ' A' ' 17' ' ' SER . 4.7 pt-20 -46.72 -18.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.529 179.958 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 17' ' ' SER . 31.3 t -75.49 -40.98 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.59 -7.95 30.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 32.0 t80 -54.08 -30.63 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.679 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 4.92 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -125.85 -56.15 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.314 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.66 -36.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.784 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 47.0 tttp -46.49 -39.11 10.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -110.28 -36.38 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -96.55 31.08 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.39 28.21 3.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.91 11.1 5.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 1.0 110.798 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.07 -36.33 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -75.56 -35.27 1.75 Allowed Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.898 179.946 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.4 Cg_exo -53.72 -23.39 26.21 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.195 1.93 . . . . 1.0 112.428 -179.182 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -69.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.475 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -35.97 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.966 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.33 -61.31 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.657 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -40.89 -52.08 3.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.73 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -35.25 72.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.642 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.454 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 88.8 t -95.65 0.75 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' TYR . 10.3 t80 -95.64 -59.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.55 -9.1 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.4 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.15 -59.65 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.843 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . 0.543 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -80.29 -48.24 6.5 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 5.7 m -51.96 -6.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.939 -0.304 . . . . 1.0 110.872 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.543 ' H ' ' C ' ' A' ' 42' ' ' GLY . 1.8 m -107.07 -29.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.428 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . -126.2 25.55 5.44 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.7 m-80 -153.78 -52.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 1.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.12 -40.12 88.32 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.87 -55.73 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 t -58.32 -64.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.381 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -47.58 -30.42 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.341 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -79.46 -42.75 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -48.54 70.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.284 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.28 -45.6 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.472 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.439 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -64.74 -28.24 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.381 179.814 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.59 -11.99 56.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.572 179.795 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -32.13 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.731 -179.543 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -13.59 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.457 ' C ' ' H ' ' A' ' 60' ' ' HIS . . . -90.3 -53.4 2.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.516 ' ND1' ' OE2' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -71.99 8.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 1.0 110.68 -179.966 . . . . . . . . 3 3 . 1 . 035 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.457 ' H ' ' C ' ' A' ' 58' ' ' GLY . 1.3 t-160 -54.91 -43.67 73.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -145.41 -157.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -93.45 -66.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 1.1 t60 -97.51 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.512 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.58 179.996 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.98 66.49 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.31 151.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.68 122.19 1.05 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.21 -141.54 3.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.19 72.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 1.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 9' ' ' ASN . 89.3 t80 -91.39 125.19 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.95 22.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.495 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -48.12 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.551 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -169.64 38.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.11 0.481 . . . . 1.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.73 27.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . -108.18 -36.14 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.63 -26.02 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.475 179.87 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -15.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 13' ' ' ALA . 6.0 pt20 -100.99 -14.28 17.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.493 ' C ' ' H ' ' A' ' 19' ' ' CYS . 43.9 t -98.3 -27.02 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -56.58 -5.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' H ' ' C ' ' A' ' 17' ' ' SER . 25.3 t -101.5 -35.45 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.97 -25.89 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.7 t80 -49.97 -35.77 25.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -75.15 -18.3 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.9 -53.49 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -45.42 -51.68 11.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.579 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -49.81 -22.8 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.14 -47.12 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -86.02 13.62 7.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.512 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -123.75 36.17 3.07 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.7 -2.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.284 . . . . 1.0 110.68 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.15 -34.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mt -74.51 -35.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.45 179.809 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.25 -23.54 74.47 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.171 1.914 . . . . 1.0 112.023 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -69.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.736 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.84 -47.96 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 1.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -47.27 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 1.2 tp -61.26 -36.93 81.35 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.437 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 25.5 t -79.52 -9.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.93 0.395 . . . . 1.0 110.234 179.758 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -99.6 -53.41 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.76 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -86.74 -22.67 25.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.655 -179.905 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -115.71 23.06 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.208 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.01 -32.48 0.04 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.464 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -119.29 34.99 4.99 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.69 0.281 . . . . 1.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.6 m -140.31 -59.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.427 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.19 -15.24 65.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.57 HD21 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -67.88 -56.11 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 1.0 110.538 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.73 -51.77 57.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.05 -46.42 53.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.218 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.14 -58.84 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 90.9 mt -60.12 -10.99 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.506 179.806 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' NH1' ' A' ' 55' ' ' ARG . 27.8 t90 -99.85 -37.43 9.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 m -81.05 -42.34 21.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.452 . . . . 1.0 109.84 179.287 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.74 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.108 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -58.27 -23.54 56.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 21.8 mtt180 -94.23 -22.28 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -91.89 -27.33 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.483 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -104.19 -8.83 19.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.402 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.64 -32.3 11.66 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -54.74 -51.12 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 1.0 110.593 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -76.12 59.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.609 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -67.57 -40.24 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -167.58 -65.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.572 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.12 42.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 2.7 m-70 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.556 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 46.78 80.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -178.38 169.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.33 -131.09 1.46 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.09 -124.03 5.25 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.08 66.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 1.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -139.86 66.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.7 19.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.518 ' C ' ' H ' ' A' ' 11' ' ' TYR . 5.1 t-20 -61.92 -69.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.595 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -71.1 39.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 1.0 110.611 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.518 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.9 t80 -168.97 40.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.5 31.29 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.39 -28.19 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 1.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.05 -37.55 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -34.67 42.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -96.57 6.02 49.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.519 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' TYR . 4.2 t -103.18 -46.66 4.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -39.56 -57.63 1.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -55.22 -28.93 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.497 ' N ' ' O ' ' A' ' 17' ' ' SER . 19.1 mm-40 -110.08 15.54 22.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.8 t80 -78.01 -53.08 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 1.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 p -56.87 -14.5 3.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.404 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -52.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -39.24 -41.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.073 -179.765 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -44.0 -38.24 3.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.58 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -110.91 -36.75 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.551 ' HG ' ' CD1' ' A' ' 31' ' ' ILE . 20.6 t -91.74 18.08 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.481 -179.908 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -81.06 -3.36 90.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.72 -7.62 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.695 0.284 . . . . 1.0 110.76 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.84 -15.15 3.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.214 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 16.1 mt -78.87 -33.12 0.85 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.07 0.396 . . . . 1.0 112.07 -179.81 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 41.7 Cg_exo -54.25 -18.91 15.26 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.98 1.787 . . . . 1.0 112.136 -179.592 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.95 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.233 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.45 -45.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 1.0 109.934 179.469 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -42.34 -52.09 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.027 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -47.7 -63.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.28 179.717 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -51.96 -41.78 62.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.352 179.753 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.451 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 84.2 t -80.67 -2.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.95 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 35' ' ' TYR . 78.0 t80 -105.17 -33.35 8.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.546 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.12 -2.88 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.512 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 0.3 OUTLIER -123.74 -30.71 3.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.096 179.623 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -2.99 59.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.07 22.16 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 m -123.44 -37.88 2.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.441 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.51 19.06 4.56 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 15.0 m-80 -126.24 -47.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 1.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.75 -48.54 8.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.05 -41.78 88.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 1.0 110.333 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.76 -62.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.3 mt -51.99 -25.39 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.665 -179.879 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 69.8 t90 -85.14 -48.53 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.635 -179.797 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -64.83 -39.49 93.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.503 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 t -63.16 -45.95 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -18.03 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.774 -179.84 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.1 mtm-85 -106.97 2.68 25.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.925 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -119.28 -25.62 6.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.223 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -102.6 -27.61 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.79 -34.62 27.17 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.591 -1.004 . . . . 1.0 110.591 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -74.02 -12.13 60.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 1.0 110.601 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -157.22 91.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.522 ' HE2' ' C ' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -62.79 -80.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.648 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.404 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 60.8 m80 -142.46 -82.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.672 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 44.6 m-70 -86.96 40.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' C ' ' HE2' ' A' ' 61' ' ' HIS . 41.2 p-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.074 -0.965 . . . . 1.0 110.689 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.475 ' H1 ' ' CG2' ' A' ' 44' ' ' THR . 42.7 ttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.69 148.82 23.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 53.44 -172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.491 179.901 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -134.51 3.4 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.91 -71.13 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.16 58.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 1.0 110.674 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -136.42 43.51 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.96 6.78 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -57.82 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.596 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ASN . 67.0 t80 44.09 97.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 71.61 39.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.195 0.521 . . . . 1.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.88 -21.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.08 -25.36 13.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.927 0.394 . . . . 1.0 110.287 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.95 -18.58 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.138 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -33.49 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 16.36 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.3 p -116.25 -54.23 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' OG ' ' A' ' 17' ' ' SER . 55.2 mt-10 -62.78 -43.87 97.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -71.08 -33.53 70.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.695 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -102.64 11.77 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.77 -179.852 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -76.1 -49.73 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.535 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -61.3 -25.33 67.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.52 -45.64 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.757 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -43.44 -52.61 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.8 -179.875 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -42.1 -26.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.562 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 t -106.13 -42.97 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.521 ' C ' ' H ' ' A' ' 29' ' ' ALA . 17.2 m -76.83 0.45 20.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -55.9 -5.68 1.03 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.521 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -98.54 1.91 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.778 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.46 17.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -77.41 -33.6 1.08 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.646 179.917 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.2 Cg_exo -58.18 -27.8 81.65 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.904 1.736 . . . . 1.0 112.034 -179.813 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -64.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.13 -47.52 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -43.57 -52.51 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.6 mmt -50.38 -66.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.666 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.54 -23.16 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.0 -179.643 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' CG1' ' O ' ' A' ' 38' ' ' VAL . 69.2 t -107.29 9.49 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.096 -179.785 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 35' ' ' TYR . 89.6 t80 -120.81 -25.51 5.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' A' ' 1' ' ' MET . 1.9 pp -109.7 -0.31 18.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.754 -179.843 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.424 ' CD1' ' C ' ' A' ' 41' ' ' LEU . 0.1 OUTLIER -131.27 -37.57 1.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.53 179.747 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.81 -6.12 60.81 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.453 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.18 27.65 2.87 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' ' H1 ' ' A' ' 1' ' ' MET . 17.8 m -136.96 -52.43 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.378 179.794 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.31 -7.22 59.51 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.7 -51.97 6.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 1.0 110.556 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.12 -48.78 44.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.13 -49.38 69.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 1.0 110.386 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.78 -69.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -46.52 -22.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 72.0 t90 -85.15 -45.67 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -70.35 -44.82 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.67 -38.9 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.661 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.35 -15.6 63.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -109.5 0.17 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.113 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -29.38 7.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.334 179.668 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.25 -29.53 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.451 179.981 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.81 -37.56 6.38 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.422 ' C ' ' H ' ' A' ' 61' ' ' HIS . 1.9 t-160 -73.95 -22.87 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 -179.741 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 11.8 t-160 -77.34 40.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.422 ' H ' ' C ' ' A' ' 59' ' ' HIS . 2.4 t-80 -63.87 -62.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.526 -179.961 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.6 -65.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -100.7 42.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.523 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 t60 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.936 -1.031 . . . . 1.0 110.613 -179.976 . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 039 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -101.01 79.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.58 -179.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.553 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.56 -68.78 0.95 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.91 127.21 27.62 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.986 -0.845 . . . . 1.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -159.15 50.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 1.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -52.85 101.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -136.84 2.93 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.583 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.617 HD21 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER 42.19 -129.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.522 -179.968 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.617 ' N ' HD21 ' A' ' 9' ' ' ASN . 0.1 OUTLIER 43.65 38.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.055 0.455 . . . . 1.0 110.506 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 43.72 43.56 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.56 64.6 2.27 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.73 -34.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 m-20 -82.12 -35.6 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.548 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -28.14 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.1 -9.61 33.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' GLU . 28.3 p -87.49 -50.03 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -41.84 -27.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -75.51 -40.93 56.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.0 pt-20 -96.84 -0.46 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.658 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' SER . 37.1 t80 -69.48 -31.81 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.574 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -79.36 -16.15 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.56 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.578 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.19 -43.77 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -49.88 -34.07 19.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 t -97.51 -35.04 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -90.78 15.49 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.08 -9.29 77.25 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.91 43.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 1.0 110.249 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -172.82 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.971 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 mt -73.04 -33.95 2.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 111.872 0.323 . . . . 1.0 111.872 -179.783 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.1 Cg_exo -58.3 -32.83 96.9 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 121.909 1.74 . . . . 1.0 111.999 -179.849 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.9 -42.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -55.57 32.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.57 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.7 -58.17 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 tt -48.13 -26.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.734 -179.954 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.8 t -95.01 -24.71 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.488 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -76.8 -58.23 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.638 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.59 1.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.488 ' H ' ' C ' ' A' ' 39' ' ' PHE . 2.0 mt -99.4 -66.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.658 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.87 12.16 70.22 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.77 32.07 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 1.0 110.589 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.8 -51.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.36 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.84 1.28 30.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.671 -0.971 . . . . 1.0 110.671 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -102.47 -61.39 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.01 56.55 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.89 -51.11 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.307 . . . . 1.0 110.278 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 10.4 t -60.27 -67.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.447 179.981 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 74.3 mt -45.91 -26.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.509 179.923 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 67.9 t90 -82.87 -46.68 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -67.54 -45.49 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.14 -48.03 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.727 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -55.17 -18.75 6.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.678 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.7 mtm-85 -101.43 -9.23 21.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 -179.663 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -107.23 -23.96 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.406 . . . . 1.0 109.932 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -89.48 -27.35 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.751 179.44 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.3 -51.08 15.96 Favored Glycine 0 C--N 1.33 0.204 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 42.8 t60 -168.65 20.42 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.635 0.731 . . . . 1.0 109.914 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 51.1 t-80 41.06 32.07 0.16 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.378 179.561 . . . . . . . . 2 2 . 1 . 039 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -50.51 168.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -66.39 -78.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -92.3 39.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.296 179.81 . . . . . . . . 1 1 . 1 . 039 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.647 -179.888 . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 040 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.23 71.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -173.06 42.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.38 -86.34 0.7 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 45.42 -165.76 0.06 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.7 46.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 1.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 42.02 43.48 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.566 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 9' ' ' ASN . 21.0 t0 -152.86 40.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.486 HD21 ' H ' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -43.58 168.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.513 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' ASN . 7.6 t80 58.46 143.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 41.95 39.27 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.493 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.61 29.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.43 -27.72 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 1.0 110.655 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -89.32 -31.78 17.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.622 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -51.35 -28.01 11.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.596 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.3 25.18 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -136.89 -48.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.541 179.981 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.96 -20.96 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -101.44 -29.77 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.85 -16.67 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 1.2 t80 -67.79 -37.76 82.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -18.64 61.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.59 -55.78 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.65 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.82 -40.55 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -51.88 -37.07 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -97.85 -30.76 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -92.76 13.46 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.538 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.85 0.12 87.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.03 41.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 1.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -159.45 -32.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -71.35 -36.42 4.74 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.448 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.39 -34.02 93.65 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.112 1.874 . . . . 1.0 112.111 -179.69 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.2 -69.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.02 -47.28 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.138 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -52.77 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.427 179.831 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -56.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 42.2 tp -49.66 -32.02 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.409 -179.747 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.436 ' O ' ' CG1' ' A' ' 38' ' ' VAL . 68.8 t -97.08 -4.14 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 1.0 110.624 -179.429 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.4 t80 -90.31 -41.74 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.672 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.05 -18.88 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.472 ' CD2' ' O ' ' A' ' 37' ' ' LEU . 4.0 pp -111.94 -9.97 13.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.325 179.674 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -108.06 2.25 33.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -130.89 6.31 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.625 0.25 . . . . 1.0 110.59 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 4.1 t -118.53 -38.06 3.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -115.06 9.93 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.632 -0.987 . . . . 1.0 110.632 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -134.29 -50.64 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 1.0 110.44 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 51' ' ' TRP . . . -59.38 -50.41 68.03 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -48.82 -52.11 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 1.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 7.5 t -60.55 -68.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.499 179.929 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.46 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 84.1 mt -49.19 -22.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 51' ' ' TRP . . . . . 0.407 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 73.8 t90 -84.49 -43.99 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -67.98 -43.38 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.489 ' C ' ' H ' ' A' ' 55' ' ' ARG . 54.2 t -64.59 -50.81 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.57 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -48.88 -13.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.461 179.883 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.489 ' H ' ' C ' ' A' ' 53' ' ' VAL . 8.6 mtp85 -103.05 -22.06 13.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.666 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.2 ptmt -94.44 -28.71 15.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.441 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -101.42 -12.09 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.35 -33.51 19.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -10.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 1.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -144.29 92.26 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 61' ' ' HIS . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 85.3 t60 -99.4 55.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.605 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.5 OUTLIER 59.62 117.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.613 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t60 49.45 40.71 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear orig full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.599 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.21 -25.54 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 40.9 m-20 -108.65 -17.54 13.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' OD1' ' OE2' ' A' ' 18' ' ' GLU . 6.8 t30 -50.6 -21.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.98 -25.68 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ASP . 4.5 t -81.93 -28.4 32.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' A' ' 15' ' ' ASN . 8.0 pt-20 -52.82 -21.55 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.9 m -87.97 -30.11 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -89.13 -23.67 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 3.7 t80 -50.81 -35.37 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 p -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -92.18 -55.16 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -45.33 -49.22 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.602 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -54.19 -24.38 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 34.5 m -94.26 -49.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.77 23.44 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -132.36 30.97 3.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.45 -18.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.679 0.276 . . . . 1.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.129 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.494 1.524 0 CA-C-O 120.82 0.258 . . . . 1.0 112.025 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.41 -70.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.02 -50.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -45.08 -57.6 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.0 mmt -61.12 -62.2 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.72 -21.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' MET . 33.9 t -101.0 -24.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 29.6 t80 -78.45 -57.33 3.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 2.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 mt -100.61 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.595 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.95 10.69 71.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.059 -0.816 . . . . 1.0 111.059 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.78 32.12 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 1.0 110.615 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.99 -50.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.77 -13.42 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.84 -54.53 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 1.0 110.496 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.604 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -57.18 -47.64 86.07 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 tp -56.94 -50.38 72.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 1.0 110.355 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.7 t -60.33 -69.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.5 mt -45.64 -28.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -78.46 -49.0 14.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 m -62.33 -46.94 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.54 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.0 -47.28 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.2 m-85 -53.71 -12.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -105.28 -13.46 15.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -29.44 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -99.94 -28.7 12.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.7 -28.05 57.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 1.0 110.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.09 -34.96 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 1.0 110.475 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.53 -22.3 21.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.6 -25.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -25.88 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.8 t -81.98 -25.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.565 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.3 mt-10 -59.56 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -46.42 -27.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 71.4 mm-40 -88.94 -20.85 23.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.667 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' SER . 33.5 t80 -48.44 -29.03 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -79.4 -21.88 45.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -106.88 -56.6 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.743 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.06 -34.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.975 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 16.5 tttp -52.9 -42.13 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.521 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 m -108.61 -15.33 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.761 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.2 m -102.45 0.23 33.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -76.72 3.51 55.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.93 -6.03 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.688 0.28 . . . . 1.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.954 -179.837 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.794 0.247 . . . . 1.0 112.066 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.86 -36.64 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.257 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.07 -62.79 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.542 ' SD ' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -52.12 -57.4 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.613 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -48.75 -34.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.506 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.44 -20.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' TYR . 3.7 t80 -77.53 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.46 0.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.9 mt -101.54 -52.18 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.64 10.71 61.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.63 24.84 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.696 0.284 . . . . 1.0 110.553 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -129.78 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.45 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.6 17.97 6.42 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -126.8 -50.62 1.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.864 0.364 . . . . 1.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.31 -45.99 82.0 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.32 -51.5 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 1.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.1 t -59.42 -65.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -48.57 -28.72 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.471 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.4 t90 -78.43 -47.73 16.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.452 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' LYS . 18.0 m -64.91 -51.97 59.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.396 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.1 t -52.44 -53.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.385 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.44 -46.99 48.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.479 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -75.79 -26.54 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.463 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' THR . 7.5 tptm -62.41 -55.49 27.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -84.17 -15.61 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.76 -29.6 47.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.88 -35.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 1.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 16' ' ' GLN . 20.5 m-20 -98.03 -23.43 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.83 -13.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.48 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 14' ' ' ASP . 3.7 pp0? -100.17 -24.29 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -83.31 -25.35 31.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.524 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.41 -5.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.485 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' H ' ' C ' ' A' ' 17' ' ' SER . 5.6 m -101.54 -43.09 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -85.77 -17.45 35.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.54 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.58 80.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -13.37 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.573 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.39 -47.03 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -52.69 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -46.89 -23.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -101.55 -44.68 5.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -79.26 11.6 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.72 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.42 8.0 80.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.08 20.83 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo . . . . . 0 N--CA 1.494 1.512 0 CA-C-O 120.782 0.242 . . . . 1.0 111.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.7 -39.6 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -62.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.521 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.03 -54.23 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 tp -47.74 -30.08 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.6 t -92.91 -23.1 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 2.3 t80 -76.7 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.7 0.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.1 mt -97.16 -59.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.557 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.02 9.19 65.54 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -131.96 32.63 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 1.0 110.566 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.3 m -136.79 -51.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.0 -6.8 48.37 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -83.56 -51.35 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -65.34 -53.5 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -49.48 -51.46 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 1.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.4 t -60.2 -72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.462 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 93.5 mt -44.59 -26.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.476 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.44 -47.89 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.483 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.51 -42.28 87.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.23 -45.41 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.24 -14.83 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -110.62 5.04 20.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.82 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -120.42 -27.18 5.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.331 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -101.43 -32.87 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.54 -30.1 34.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 1.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.8 -31.82 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 1.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -84.29 -28.75 26.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.466 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.62 -27.29 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.461 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -103.42 -2.19 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -101.92 -41.14 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.09 -23.31 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.41 -29.85 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -94.26 -23.86 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.38 -32.68 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.7 p -77.72 -20.51 53.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -51.94 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -44.27 -56.57 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.545 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -47.04 -22.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.39 -47.8 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.673 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -77.48 2.92 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -94.25 1.11 66.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.16 41.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.031 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 N--CA 1.494 1.558 0 CA-C-O 120.817 0.257 . . . . 1.0 112.036 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.634 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -49.08 -48.14 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -51.75 -55.24 20.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.11 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.639 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.8 tp -46.91 -17.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 36' ' ' MET . 35.9 t -101.89 -24.65 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' MET . 34.8 t80 -80.54 -56.2 4.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.95 1.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -101.22 -61.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.58 10.58 72.58 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -136.2 33.27 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 1.0 110.525 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -135.94 -51.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -105.04 -6.72 39.35 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -83.39 -51.08 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.42 39.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tp -53.5 -45.01 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' GLY . 5.1 t -59.5 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.38 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.35 -25.68 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -81.44 -47.39 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 m -64.4 -45.75 86.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.81 -46.14 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -16.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.1 mtp85 -101.48 -12.3 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.69 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -29.69 11.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -100.48 -30.89 11.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.95 -27.54 60.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.502 ' N ' HD21 ' A' ' 15' ' ' ASN . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.03 -26.11 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 12.6 p-10 -109.25 -16.97 13.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.502 HD21 ' N ' ' A' ' 12' ' ' GLY . 5.9 m-80 -50.87 -19.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.592 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.61 -25.3 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.552 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' N ' ' A' ' 19' ' ' CYS . 67.1 p -78.15 -49.5 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.589 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -49.54 -14.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.581 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.429 ' N ' ' C ' ' A' ' 17' ' ' SER . 16.5 t -68.41 -28.88 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -94.33 9.27 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.451 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.81 -46.83 62.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.9 p -62.84 -25.91 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.59 -39.93 11.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.532 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLY . 21.3 t90 -46.9 -52.95 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -46.6 -31.86 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -89.27 -49.41 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 m -84.55 16.52 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -127.12 35.97 2.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.54 -3.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.68 0.276 . . . . 1.0 110.652 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 N--CA 1.493 1.492 0 CA-C-O 120.801 0.25 . . . . 1.0 111.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.12 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.19 -46.2 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -64.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.413 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.2 mmt -61.25 -56.49 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.03 -25.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -101.14 -26.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -71.21 -58.03 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.28 -36.43 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -71.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -57.84 -57.69 18.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' THR . 9.0 m -48.2 -13.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.282 . . . . 1.0 110.691 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' C ' ' A' ' 42' ' ' GLY . 95.8 m -110.82 -26.51 9.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.61 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.82 -4.63 56.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.045 -0.822 . . . . 1.0 111.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -106.93 -44.32 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.802 0.334 . . . . 1.0 110.576 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.1 -56.52 8.83 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.64 -47.82 20.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 1.0 110.388 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.6 t -62.15 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.499 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.6 mt -42.0 -30.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 77.9 t90 -72.97 -51.01 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.297 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -56.83 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.062 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 t -43.43 -38.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.523 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.25 -52.38 54.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -72.23 -9.59 58.66 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.554 -0.536 . . . . 1.0 109.554 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -87.06 -51.88 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.324 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -23.82 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.619 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.55 -28.77 51.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 -27.89 2.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.814 0.34 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -28.96 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -50.09 -28.79 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -91.23 -26.99 18.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' TYR . 62.0 p -74.31 -34.93 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' TYR . 24.2 mt-10 -58.99 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -43.28 -27.77 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.84 -29.4 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.578 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.2 t80 -67.64 -35.06 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 t -78.69 -14.43 59.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.81 -53.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.87 -44.58 9.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -47.81 -30.52 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.8 m -102.59 -42.84 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.52 30.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.612 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -128.94 24.9 4.73 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.12 17.67 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 1.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.743 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 N--CA 1.494 1.505 0 CA-C-O 120.782 0.242 . . . . 1.0 112.02 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -67.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.87 -39.42 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -61.22 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.05 -55.74 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.604 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.93 -35.99 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.2 t -90.61 -8.94 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.2 t80 -84.89 -54.52 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.65 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -3.23 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.8 mt -124.5 -2.82 7.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.5 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.79 4.42 3.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -150.96 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 1.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -129.65 -46.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.306 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.21 5.03 11.15 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.691 -0.963 . . . . 1.0 110.691 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -103.18 -50.53 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.858 0.361 . . . . 1.0 110.645 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.84 40.16 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.46 -48.0 69.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.422 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.7 t -59.82 -71.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 7.2 mt -41.72 -31.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 78.9 t90 -77.92 -49.0 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.533 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -61.57 -44.92 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.364 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' C ' ' N ' ' A' ' 55' ' ' ARG . 61.4 t -64.22 -48.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-85 -48.87 -12.78 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 23.3 mtm180 -105.45 -19.97 13.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -99.48 -23.83 14.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.554 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -104.13 -15.32 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.01 -30.14 39.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 1.0 110.6 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -33.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 1.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.2 p-10 -91.58 -26.29 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.408 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -15.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 14' ' ' ASP . 10.6 pt20 -101.93 -24.2 14.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.503 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' ASP . 20.1 t -74.18 -36.66 64.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.09 -24.79 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.13 -30.61 69.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -83.29 -6.25 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -95.65 -45.12 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.543 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 1.5 t -67.39 -23.01 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.598 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.98 -42.47 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -54.94 -59.46 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -50.87 -27.95 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -48.86 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.34 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -0.68 15.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.77 -9.82 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.642 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo . . . . . 0 N--CA 1.494 1.544 0 CA-C-O 120.776 0.24 . . . . 1.0 112.065 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.54 -68.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -48.35 -40.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.482 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -62.91 -59.1 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -55.3 36.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.544 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -49.88 -31.57 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.66 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 34' ' ' ILE . 54.4 t -89.74 -19.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.526 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.5 t80 -79.72 -58.85 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 1.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.2 mt -99.05 -65.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.617 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.97 11.45 72.09 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.14 33.17 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.669 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -136.36 -50.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.15 -2.16 38.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -89.13 -49.6 6.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.7 -50.69 34.75 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.21 -48.38 68.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 1.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.5 t -60.13 -72.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -41.49 -30.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.612 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.6 t90 -77.34 -50.69 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.602 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -64.2 -44.74 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.99 -46.25 87.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.74 -14.84 9.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.39 9.64 23.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.745 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.29 -26.81 4.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -98.89 -38.8 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.68 -29.69 42.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.98 -28.1 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 1.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 4.3 m-20 -96.94 -27.33 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -26.3 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.83 -16.97 19.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 19' ' ' CYS . 82.7 p -76.54 -40.2 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.1 -11.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' H ' ' C ' ' A' ' 17' ' ' SER . 17.6 t -71.82 -29.64 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.539 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.25 -22.74 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.15 -35.03 74.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -74.01 -21.28 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -91.4 -53.21 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -42.83 -49.05 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -57.47 -30.72 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ASP . 13.8 m -81.87 -48.58 11.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -0.65 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.91 6.62 82.75 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 -3.58 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.705 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo . . . . . 0 N--CA 1.495 1.588 0 CA-C-O 120.82 0.258 . . . . 1.0 111.985 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.43 -68.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -52.4 -48.06 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -60.58 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.515 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' N ' ' A' ' 38' ' ' VAL . 7.8 mmt -59.02 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -49.08 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' N ' ' C ' ' A' ' 36' ' ' MET . 50.3 t -115.32 -13.45 11.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.3 t80 -95.57 -15.52 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -112.17 2.08 16.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -103.86 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.103 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.56 9.26 58.8 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.092 -0.575 . . . . 1.0 111.829 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 31.14 4.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.891 0.377 . . . . 1.0 110.519 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -138.09 -47.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.341 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.56 -1.24 46.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.65 -50.38 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 1.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.68 -45.16 90.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.36 -48.8 79.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 1.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.0 t -59.74 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.4 mt -43.59 -30.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.535 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 81.1 t90 -77.54 -50.52 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -59.74 -43.95 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.496 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 55' ' ' ARG . 47.3 t -65.47 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.25 -12.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.569 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 26.6 mtm180 -104.08 -22.27 13.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.668 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.7 ptmt -93.98 -29.07 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -101.51 -12.78 18.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.519 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.65 -30.56 26.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 1.0 110.574 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.0 -27.69 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 1.0 110.593 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.38 -29.46 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -48.09 -28.96 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -80.09 -30.36 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.465 ' C ' ' N ' ' A' ' 19' ' ' CYS . 39.7 t -70.5 -53.0 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.603 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -47.74 -14.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.26 -32.53 18.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.585 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.0 mm-40 -92.31 -31.91 15.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 20.9 t80 -53.14 -32.71 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -18.73 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.37 -57.03 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.8 -42.31 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.528 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -50.68 -36.82 37.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.591 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -95.94 -34.4 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -87.53 13.58 9.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.21 -10.69 74.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.52 43.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 1.0 110.238 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.055 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.494 1.507 0 CA-C-O 120.869 0.279 . . . . 1.0 111.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.36 -69.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.47 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -58.15 -45.64 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.21 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -52.98 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.2 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -66.99 -57.91 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -45.66 -37.67 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.467 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 t -82.38 -29.99 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.016 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.5 t80 -71.63 -59.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.85 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -63.29 0.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.603 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.1 mt -96.06 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.9 3.31 85.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.54 42.34 3.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 21.8 m -140.31 -55.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.98 -8.55 39.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -48.44 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.555 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.99 -46.53 65.67 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 48' ' ' LEU . 41.4 tp -57.11 -49.06 77.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 1.0 110.379 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 50' ' ' LEU . 11.5 t -60.16 -70.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.596 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -42.18 -30.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.529 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -77.66 -50.32 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.561 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -58.51 -42.97 88.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 55' ' ' ARG . 35.6 t -62.9 -47.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -13.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 53' ' ' VAL . 9.6 mtp85 -103.68 -14.83 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -102.41 -28.63 12.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -99.73 -29.95 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.14 -28.64 55.77 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.513 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.5 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 1.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.07 -29.38 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -28.23 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -99.7 -4.28 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.6 p -96.03 -36.09 11.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' TYR . 44.0 mt-10 -54.51 -64.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.558 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -43.02 -29.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -92.26 -27.43 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.5 t80 -52.23 -30.91 29.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 p -76.22 -20.59 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -98.64 -60.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.607 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.436 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -41.56 -31.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.576 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.62 -37.38 56.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' ASP . 58.2 m -95.63 -2.53 48.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -136.17 -53.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.648 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 24' ' ' TRP . . . -60.21 -1.08 1.4 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -102.93 -9.08 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 1.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.662 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.789 0.246 . . . . 1.0 111.993 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -54.06 -36.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -57.44 8.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.94 -57.7 11.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.622 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 tp -46.65 -28.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.517 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.8 t -98.07 -13.2 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 17.7 t80 -81.05 -48.27 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.577 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -2.08 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 37' ' ' LEU . 91.1 mt -125.63 -0.41 7.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.36 3.18 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.31 23.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 1.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -132.44 -48.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.33 -4.33 43.92 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -92.68 -53.28 4.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 1.0 110.59 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -62.67 -54.56 32.92 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.94 -51.27 24.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.302 . . . . 1.0 110.43 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.7 t -60.69 -72.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -46.66 -21.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.472 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.7 t90 -85.56 -44.07 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -66.43 -41.5 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' LYS . 38.0 t -62.54 -52.43 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -14.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.508 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.6 mtp85 -101.51 -20.68 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.607 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -94.61 -29.24 14.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.435 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 -13.91 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.505 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.54 -31.99 20.3 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.549 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.89 -27.57 2.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 1.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -95.35 -25.71 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.571 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -26.57 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.529 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -3.66 55.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -96.03 -48.9 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.83 -26.34 46.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -78.35 -29.72 47.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.604 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.34 -29.7 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -51.47 -38.6 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -68.23 -14.08 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -102.69 -46.63 4.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.53 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' GLY . 22.9 t90 -42.34 -52.05 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -49.69 -31.98 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ASP . 32.2 t -88.61 -49.27 6.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 m -84.54 15.17 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -126.78 37.03 2.5 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.7 -4.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 1.0 110.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.752 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 N--CA 1.494 1.52 0 CA-C-O 120.855 0.273 . . . . 1.0 112.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.64 -51.2 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.56 -56.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.186 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -52.51 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.389 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -49.89 -44.48 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.5 t -78.98 -14.58 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' THR . 38.1 t80 -80.67 -60.19 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 1.0 110.77 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -1.48 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.815 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.5 mt -122.95 -8.64 8.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.467 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 7.11 4.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -148.42 20.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 1.0 110.617 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -132.2 -47.85 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.21 -2.71 44.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -92.38 -50.67 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.708 0.29 . . . . 1.0 110.514 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -64.89 -47.37 83.64 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.92 -47.54 77.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 1.0 110.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.1 t -61.25 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 11.1 mt -41.71 -30.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.0 t90 -76.3 -51.27 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.45 -43.95 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.527 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -58.37 -46.78 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.33 -14.57 7.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.92 5.51 20.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.808 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.4 -26.81 5.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -101.73 -31.47 10.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.31 -31.1 31.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 1.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.7 -27.1 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 1.0 110.624 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.22 -29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -52.61 -34.98 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -95.31 9.84 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.458 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' TYR . 12.3 t -104.41 -48.06 3.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -41.51 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 t -75.7 -39.21 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 mm-40 -104.73 0.54 28.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.0 t80 -63.19 -29.75 71.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 p -80.16 -12.67 59.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.39 -57.19 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.716 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.17 -35.74 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.776 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -51.74 -40.3 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -107.74 -17.97 13.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -104.03 10.28 36.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -83.11 -2.33 90.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.04 33.48 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 1.0 110.417 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo . . . . . 0 N--CA 1.494 1.538 0 CA-C-O 120.776 0.24 . . . . 1.0 111.988 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -67.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.639 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.55 -40.45 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.371 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -50.52 -49.78 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.359 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.1 mmt -61.18 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -57.76 -9.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.81 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.3 t -116.12 -12.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' TYR . 85.7 t80 -94.51 -51.55 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.524 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.95 -12.04 60.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 mt -85.81 -41.96 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.011 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -84.95 -56.16 2.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 43' ' ' THR . 99.6 m -46.02 -14.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 1.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m -108.51 -27.68 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -112.25 17.54 24.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -139.86 -45.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 1.0 110.456 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.41 -46.52 55.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.45 -49.17 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 1.0 110.206 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.74 -64.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.64 -29.95 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 75.2 t90 -75.55 -49.43 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.516 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.6 m -61.79 -51.75 67.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.292 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.0 t -51.11 -58.63 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.376 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -43.39 -48.57 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 2.3 mtp85 -75.24 -28.23 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.502 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.1 tptm -62.05 -58.69 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.623 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -82.43 -14.33 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.52 -30.17 41.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 1.0 110.638 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.97 -35.22 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 1.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.18 -31.22 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -48.37 -25.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -85.37 -37.49 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.5 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -60.86 -53.02 62.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.525 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.2 -6.85 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 -35.35 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.3 -25.75 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -51.95 -37.84 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.582 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -21.75 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -96.03 -57.6 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.6 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -41.94 -46.94 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -54.35 -32.14 56.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t -89.92 -48.49 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -79.84 10.26 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -90.47 9.84 76.31 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.32 19.8 19.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 1.0 110.643 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.893 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 N--CA 1.493 1.463 0 CA-C-O 120.876 0.282 . . . . 1.0 112.082 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.86 -40.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -62.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.467 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.8 mmt -57.31 -54.76 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.499 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -47.8 -31.73 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.547 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.1 t -95.16 -10.26 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.8 t80 -88.04 -57.9 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 0.57 4.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' LEU . 92.0 mt -125.27 -26.61 3.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.395 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.01 -2.28 48.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.19 28.86 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 1.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -135.2 -50.09 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.57 -9.57 43.38 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -77.6 -47.37 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 1.0 110.537 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -68.24 -48.97 49.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.39 -47.27 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 1.0 110.379 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 50' ' ' LEU . 15.7 t -60.8 -72.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.4 mt -41.3 -27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.0 t90 -81.61 -48.94 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -66.43 -43.77 84.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.546 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.5 t -59.62 -46.77 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.791 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -55.65 -23.83 30.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.685 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.2 mtm-85 -97.94 3.59 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -23.48 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.914 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -33.28 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.173 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -30.14 45.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 1.0 110.634 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.01 -28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.604 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 -19.98 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -57.65 -21.58 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -99.99 1.83 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -98.35 -48.39 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.572 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.64 -17.85 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.2 -30.32 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.614 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -91.26 -28.3 17.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 33.0 t80 -52.21 -31.4 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 p -82.91 -12.24 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.91 -44.64 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -56.86 -48.17 78.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.595 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -55.35 -20.55 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -96.14 -48.97 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.662 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.76 32.1 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.689 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.28 12.86 3.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.06 -18.23 11.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 1.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.052 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.493 1.5 0 CA-C-O 120.813 0.255 . . . . 1.0 112.045 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.652 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -48.77 -43.25 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.449 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -61.66 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.62 -57.92 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -33.29 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 38' ' ' VAL . 70.4 t -93.28 -12.6 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' MET . 20.8 t80 -80.62 -49.98 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -2.65 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.701 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -125.46 0.1 7.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.487 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 7.88 4.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -149.94 18.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.714 0.292 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -128.39 -48.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.09 -7.8 32.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.674 -0.97 . . . . 1.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -104.82 -32.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 1.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.43 6.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.93 -48.95 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.772 0.32 . . . . 1.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.6 t -61.41 -69.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -45.83 -26.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.628 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.2 t90 -81.32 -48.48 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -65.7 -43.78 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.0 -46.8 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.96 -14.55 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.587 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.628 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.7 4.15 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -120.02 -27.77 5.28 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.831 0.348 . . . . 1.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -37.24 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.595 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.38 -30.54 36.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 1.0 110.607 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.47 -25.45 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.304 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.62 -17.72 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -50.09 -21.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -89.98 -43.32 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' TYR . 31.7 t -55.79 -45.15 78.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.0 -28.88 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -34.35 28.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.62 -5.7 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' SER . 20.7 t80 -71.34 -44.0 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.607 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -67.14 -17.92 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -97.08 -50.06 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.598 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -43.72 -46.25 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.53 -31.89 48.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -47.01 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.605 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -84.34 12.97 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.94 4.17 86.22 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 1.87 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 1.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.638 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 N--CA 1.495 1.568 0 CA-C-O 120.876 0.282 . . . . 1.0 112.08 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.48 -67.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.38 -46.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -41.34 -52.61 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.57 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -50.84 -47.34 60.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.638 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 38' ' ' VAL . 39.1 t -73.21 -9.3 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -97.71 -33.73 11.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.678 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.29 -39.49 6.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -80.47 -39.17 28.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 1.0 110.148 179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -74.98 -52.99 6.49 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -64.19 2.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' GLY . 54.3 m -118.26 -33.05 4.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.575 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.52 -22.19 22.28 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -95.94 -53.1 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.81 81.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.62 -49.96 74.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 1.0 110.383 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.0 t -60.32 -69.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.3 mt -45.8 -28.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.478 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.4 t90 -77.74 -48.72 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -62.45 -47.54 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' A' ' 55' ' ' ARG . 78.5 t -58.77 -53.64 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.531 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.4 -11.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 5.6 mtp85 -108.46 -17.33 14.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.799 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -100.79 -25.49 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 1.0 110.523 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -104.54 -25.48 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.93 -28.94 53.4 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.8 -27.61 17.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.747 0.308 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLN . 14.5 m-20 -108.73 -16.89 14.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -17.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' ASP . 6.7 pt20 -82.19 -30.1 31.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.8 p -78.72 -41.93 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.3 -39.2 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -32.46 73.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.0 mm-40 -91.97 -24.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.6 t80 -52.98 -39.0 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -68.45 -18.77 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.632 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -47.04 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -45.78 -54.17 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.599 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -52.56 -23.54 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.608 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.93 -50.72 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.609 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -85.85 11.28 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.84 6.72 77.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.37 1.54 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.293 . . . . 1.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.68 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.786 0.244 . . . . 1.0 112.093 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.63 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.99 -54.54 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.211 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -41.99 -63.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -64.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.803 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.32 -25.26 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.009 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.2 t -105.99 7.76 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.88 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.8 t80 -115.12 -22.92 9.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.02 1.27 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.69 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.32 -62.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.368 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.05 9.64 58.11 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.997 -0.62 . . . . 1.0 112.06 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 29.7 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.944 0.402 . . . . 1.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -135.2 -48.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.256 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.11 -0.15 38.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -102.25 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 1.0 110.633 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.13 67.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.77 -51.18 71.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -59.77 -68.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 49' ' ' VAL . 81.7 mt -45.59 -27.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.2 t90 -79.98 -48.19 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.644 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -65.07 -39.8 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.66 -46.09 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -14.38 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.96 3.51 18.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.96 -27.45 5.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.317 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -101.67 -33.08 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.15 -30.11 38.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 1.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.71 -29.95 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 27.1 p30 -92.05 -24.49 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.536 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 33.0 m-20 -56.49 -21.24 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.63 -28.67 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 83.6 p -71.86 -55.12 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.94 -24.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 m -84.37 -32.06 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.5 mm-40 -89.17 -17.49 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.36 -43.6 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.558 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.532 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 t -69.05 -16.85 63.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -102.92 -42.57 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.3 t90 -46.97 -44.23 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -49.31 -40.17 33.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.428 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.562 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.19 4.12 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.43 -8.85 80.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.53 43.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 1.0 110.314 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.076 -179.901 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo . . . . . 0 N--CA 1.495 1.584 0 CA-C-O 120.793 0.247 . . . . 1.0 112.017 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.75 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.25 -40.01 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -61.61 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.507 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -61.36 -54.42 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -47.38 -29.92 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.528 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.07 -24.63 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.7 t80 -75.47 -58.77 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.634 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.07 0.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 mt -97.74 -59.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.65 9.99 66.55 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.28 32.37 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 1.0 110.54 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -136.1 -52.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.37 -12.46 41.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.48 ' ND2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.99 -53.62 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.848 0.356 . . . . 1.0 110.589 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.463 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -61.1 -53.9 41.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 tp -49.65 -50.6 42.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 17.7 t -60.91 -73.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.495 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -44.35 -25.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.3 t90 -80.98 -46.66 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.12 -40.9 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.446 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.25 -42.22 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -14.45 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -109.99 -13.71 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.757 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -29.24 12.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.823 0.344 . . . . 1.0 110.32 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -101.56 -25.72 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.96 -30.08 44.25 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.853 0.359 . . . . 1.0 110.554 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.59 -35.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -75.82 -35.71 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -28.88 64.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.91 -12.06 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -89.06 -46.24 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.86 -20.6 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -34.42 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.32 -18.41 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 25.0 t80 -58.09 -37.07 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -72.25 -12.56 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -47.03 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -47.46 -49.8 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -47.82 -32.03 5.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -91.18 -45.98 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -76.73 4.56 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.585 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.95 -7.87 80.12 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.7 43.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 1.0 110.241 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.02 -179.867 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.495 1.561 0 CA-C-O 120.801 0.25 . . . . 1.0 111.992 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.27 -41.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.5 mmt -60.39 -55.41 33.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.557 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.17 -29.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.7 t -96.85 -13.64 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.7 t80 -82.38 -55.63 4.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -2.81 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 37' ' ' LEU . 89.2 mt -124.63 -5.01 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.47 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.25 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -152.55 26.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.95 -46.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.05 5.26 10.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -103.39 -50.53 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 1.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.45 -47.05 72.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.53 -48.39 74.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.0 t -60.35 -71.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.531 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 49' ' ' VAL . 7.6 mt -41.5 -29.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 76.7 t90 -79.0 -50.83 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -59.42 -44.78 92.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 t -57.57 -51.72 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -25.62 10.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.525 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -91.93 -15.51 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -101.07 -20.84 15.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -11.44 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.294 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.72 -33.83 23.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 6.1 p-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 1.0 110.325 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.3 -26.91 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 1.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -91.29 -31.61 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.69 -28.39 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -91.51 -17.36 25.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -88.18 -39.65 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -48.38 -22.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.69 -33.93 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -92.08 -28.88 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.542 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -51.74 -30.12 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.4 p -81.74 -14.65 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.8 -53.52 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -40.16 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -57.38 -28.74 63.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 m -99.23 -33.82 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -90.67 12.77 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.54 8.48 79.74 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 21.27 17.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.688 0.28 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.942 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.495 1.584 0 CA-C-O 120.789 0.246 . . . . 1.0 112.0 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.32 -63.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.69 -53.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.209 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -44.53 -52.15 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.414 179.795 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.85 -61.7 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.606 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.49 -5.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.6 t -121.25 -6.48 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.632 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' TYR . 79.2 t80 -106.33 -17.19 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.796 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -117.47 -16.03 10.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.88 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.842 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -113.46 -42.92 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.874 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.49 -0.41 82.19 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -135.34 23.01 3.46 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.777 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 16.8 m -130.68 -48.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.337 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.98 -4.04 41.98 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -100.72 -57.74 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.64 -43.71 59.58 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 1.0 110.264 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.5 t -60.46 -67.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 78.3 mt -45.91 -28.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -78.99 -48.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.8 m -62.79 -43.86 97.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . 70.0 t -64.4 -50.11 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.53 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.1 m-85 -49.3 -12.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.494 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 53' ' ' VAL . 7.3 mtp85 -103.95 -21.81 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 ptmm? -94.5 -29.38 14.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -100.78 -13.47 18.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.72 -32.56 24.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 1.0 110.536 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.159 -0.776 . . . . 1.0 111.159 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.23 -20.6 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 1.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -101.5 -20.22 15.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.508 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.99 -32.74 73.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -101.49 3.03 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' TYR . 3.4 p -101.81 -37.4 8.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.78 -26.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 t -92.06 -28.82 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' A' ' 24' ' ' TRP . 32.8 tt0 -91.62 -9.52 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.23 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.5 t80 -47.04 -35.65 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 p -74.49 -21.61 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.978 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.73 -57.22 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.115 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.35 -40.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.197 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 27.5 tttt -45.48 -38.72 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 1.0 110.574 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.6 t -109.11 -37.23 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 25.3 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.711 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -125.4 28.63 4.99 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.724 -0.95 . . . . 1.0 110.724 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.34 15.32 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.722 0.296 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.495 1.572 0 CA-C-O 120.779 0.241 . . . . 1.0 112.092 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.93 -70.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.07 -46.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -42.43 -56.09 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.003 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.6 mmt -55.19 -58.31 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.215 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.1 tp -47.65 -41.55 22.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.31 -22.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.031 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' TYR . 28.3 t80 -78.25 -59.49 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 1.0 110.704 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.2 0.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.6 mt -95.33 -74.01 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.3 13.66 64.52 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.451 -0.659 . . . . 1.0 111.451 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.7 26.64 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 1.0 110.571 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -129.44 -50.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.2 2.62 29.78 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -118.82 -66.24 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.851 0.357 . . . . 1.0 110.523 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -59.68 -51.27 60.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp -49.96 -46.94 52.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.678 0.275 . . . . 1.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.47 -61.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.34 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.51 -23.3 57.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.6 t90 -84.04 -40.02 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -74.5 -49.0 23.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -56.09 -35.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.517 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.78 -15.06 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.545 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 1.5 mtp85 -106.22 6.07 30.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.717 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -24.81 8.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.317 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -100.48 -30.66 11.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.48 -36.55 7.98 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 1.0 110.542 -179.963 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.98 -23.13 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.528 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -109.4 -14.11 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.11 -21.82 48.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.91 -12.62 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 19' ' ' CYS . 17.6 p -95.18 -39.87 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.64 -5.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.3 t -100.94 -39.6 7.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.94 -13.97 37.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' C ' ' H ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -69.41 -42.14 75.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.11 13.06 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 21' ' ' TYR . 31.9 m-20 -137.15 -35.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.542 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.93 -35.65 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.543 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -52.65 -36.62 57.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -43.5 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.563 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 m -87.31 21.13 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.44 -4.39 87.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.16 31.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 1.0 110.564 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 179.965 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.83 0.263 . . . . 1.0 112.099 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.9 -67.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.74 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.19 -45.82 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -52.31 -61.31 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.52 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.38 -59.09 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.586 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 tp -48.18 -27.86 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.03 -19.02 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' A' ' 41' ' ' LEU . 15.5 t80 -83.37 -56.88 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -65.54 0.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -98.32 -60.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.79 3.9 83.27 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 36.69 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 50.9 m -136.32 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 -23.38 10.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 1.0 110.502 179.883 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -68.68 -51.15 31.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.24 -43.86 83.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 1.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 t -59.83 -60.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.318 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.73 -27.03 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.9 t90 -79.3 -48.2 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.672 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.16 -42.4 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' LYS . 59.0 t -59.9 -43.19 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -35.64 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.631 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.0 mtm-85 -84.42 -6.74 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.671 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -18.15 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 1.0 109.904 179.601 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -108.31 -34.29 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.36 65.37 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.674 -179.94 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.99 -27.96 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.31 -28.02 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -27.21 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 6.5 pt20 -95.52 -16.19 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -79.19 -39.79 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -45.6 -39.33 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.51 -30.41 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.539 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 5.5 mp0 -90.76 -26.16 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.525 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -59.29 -25.27 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -88.85 -49.07 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.1 t90 -41.66 -57.26 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 15.0 tttp -47.3 -28.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -90.41 -49.04 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.3 3.29 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.64 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.1 -7.55 80.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.59 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 1.0 110.296 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.009 -179.883 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.802 0.251 . . . . 1.0 111.989 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -67.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.92 -40.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.57 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -58.39 -55.64 32.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -46.92 -33.11 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.1 t -93.06 -12.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' MET . 11.3 t80 -82.31 -53.7 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -0.93 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.725 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -126.07 -4.36 6.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.447 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.82 6.76 6.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 11.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 1.0 110.646 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -122.12 -34.73 3.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.55 23.93 4.2 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -135.87 -44.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 1.0 110.485 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.98 37.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.79 -50.83 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 1.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' LEU . 21.0 t -58.73 -68.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 mt -44.28 -29.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.515 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -79.79 -45.14 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.3 m -66.38 -45.86 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.67 -46.15 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -18.67 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.506 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -96.29 -10.06 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 -28.61 10.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.301 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -23.0 22.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.49 -28.27 57.86 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.77 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.816 0.341 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 30.6 p30 -95.5 -27.6 15.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 3.2 m-80 -51.6 -26.95 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.8 pt20 -92.58 -38.16 12.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 21' ' ' TYR . 7.0 p -61.26 -39.11 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 8.8 mt-10 -41.38 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -41.07 -26.92 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.576 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -86.38 -35.28 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' GLU . 22.0 t80 -51.58 -31.91 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.577 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -77.73 -18.3 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 -54.99 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -47.99 5.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -48.8 -32.13 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.665 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -94.56 -42.43 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -76.0 5.62 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.6 -9.87 77.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.44 43.3 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 1.0 110.332 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.923 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.836 0.265 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.62 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.554 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.97 -54.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.243 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -42.28 -64.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.253 179.723 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -64.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -52.3 -25.65 10.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.929 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.7 t -106.13 7.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.035 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.4 t80 -113.93 -25.24 8.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -102.99 1.93 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.4 mt -101.64 -61.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.439 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.85 7.35 57.38 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 121.047 -0.597 . . . . 1.0 112.034 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 28.46 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -136.52 -46.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.55 -6.11 53.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -87.46 -48.98 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.33 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -65.62 -51.82 44.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -51.64 -51.2 57.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.8 t -59.93 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -43.69 -29.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -76.84 -47.37 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.6 m -61.92 -52.12 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.462 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' LYS . 7.1 t -51.77 -52.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.0 -30.84 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 1.0 110.244 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.665 ' HE ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -80.78 -18.43 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.258 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -102.96 -18.07 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.437 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -108.71 -13.09 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.03 -31.57 25.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 1.0 110.562 -179.981 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.27 -28.06 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 1.0 110.574 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.26 -23.73 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -58.55 -29.27 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -103.08 24.04 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -128.6 -39.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -55.47 -20.7 13.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.607 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.5 m -86.08 -31.93 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -92.0 -19.71 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -50.63 -33.26 21.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -79.75 -15.21 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -54.83 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.21 -45.16 5.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.721 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -47.47 -33.09 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -99.34 -43.21 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -94.34 31.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.538 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.64 23.78 4.44 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.75 13.21 5.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 1.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.713 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 N--CA 1.486 1.042 0 CA-C-O 120.799 0.25 . . . . 1.0 112.135 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.04 -61.74 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.446 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.22 -48.25 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.301 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.64 -46.05 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.094 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.457 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -70.96 -58.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.539 179.688 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 tp -47.39 -36.28 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 t -82.38 -31.06 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.993 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.1 t80 -70.39 -60.02 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.818 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.87 0.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.709 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -94.25 -69.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.48 7.97 80.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -129.49 34.53 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 1.0 110.541 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 m -137.33 -51.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.405 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.48 -11.13 39.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.565 ' ND2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.98 -54.5 5.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 1.0 110.533 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -58.01 -49.22 77.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 tp -54.86 -51.65 65.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 1.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.7 t -58.97 -70.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.481 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.565 HD12 ' ND2' ' A' ' 46' ' ' ASN . 88.1 mt -45.36 -29.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 77.4 t90 -78.49 -44.17 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -69.47 -55.5 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.261 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -48.41 -48.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.353 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -53.86 -53.7 48.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.31 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.611 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 3.8 mtp85 -68.06 -20.3 64.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.163 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -76.14 -53.25 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.382 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.94 -18.92 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.88 -31.03 45.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.09 -22.1 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.325 . . . . 1.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -109.07 -16.1 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -24.78 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 -23.29 41.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.631 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -82.51 -53.12 6.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.604 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.7 m -74.36 -33.37 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' SER . 9.2 mt-10 -96.85 -13.72 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -56.12 -33.69 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -74.96 -16.56 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -50.02 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -43.61 -52.23 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.537 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -47.14 -27.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -45.84 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 m -82.94 13.27 4.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -87.12 -8.07 76.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 1.0 110.183 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.047 -179.781 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo . . . . . 0 N--CA 1.495 1.567 0 CA-C-O 120.813 0.256 . . . . 1.0 111.976 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -67.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.68 -28.4 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.395 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -69.6 -48.58 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.551 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -48.76 -62.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.64 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.8 tp -50.4 -40.52 50.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.343 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.9 t -80.52 -5.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.637 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -100.91 -29.73 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.729 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -97.08 -16.74 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.997 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -107.08 -29.62 9.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.833 0.349 . . . . 1.0 110.284 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.34 -1.64 60.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.98 26.49 3.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 1.0 110.772 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -133.18 -48.74 0.85 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.47 -2.52 43.99 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -94.46 -51.78 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.662 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.23 -45.92 94.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.77 -47.6 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.324 . . . . 1.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.5 t -61.39 -70.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.75 -31.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.533 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.4 t90 -75.29 -50.92 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -63.52 -40.65 97.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.2 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.682 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -14.73 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.6 5.83 21.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.89 -28.41 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.33 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -100.93 -32.23 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.93 -30.48 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 1.0 110.568 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.38 -26.44 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 1.0 110.685 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 20.0 p-10 -93.04 -32.86 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -47.02 -31.89 3.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -85.54 -35.38 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' TYR . 9.5 p -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.3 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.612 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.0 m -51.56 -29.42 17.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.645 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 3.9 tt0 -99.45 19.0 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' SER . 47.6 t80 -86.77 -39.4 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.376 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -68.75 -12.96 62.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.75 -47.88 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.34 -46.24 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.926 -179.688 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.6 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 17.9 ttpt -45.94 -35.8 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.626 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -100.88 -42.43 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.769 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 p -96.44 32.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.584 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.52 28.74 2.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.78 9.65 3.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 1.0 110.606 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.762 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 N--CA 1.495 1.604 0 CA-C-O 120.797 0.249 . . . . 1.0 112.254 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.89 -66.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.617 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -40.12 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.155 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -50.9 -56.24 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.688 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 mmt -46.09 -61.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.654 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.83 -31.06 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.0 t -96.82 -6.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.498 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 43' ' ' THR . 16.9 t80 -90.62 -59.0 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -5.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.752 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.1 mt -123.6 -5.98 8.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.545 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.75 17.29 3.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.727 ' O ' HG22 ' A' ' 43' ' ' THR . 88.1 m -158.26 19.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.593 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.3 -49.24 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.085 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.56 -2.21 30.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.562 -1.015 . . . . 1.0 110.562 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.477 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -103.55 -54.04 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 1.0 110.512 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -64.66 -57.56 12.3 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -45.69 -48.3 15.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.675 0.274 . . . . 1.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.6 t -62.67 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.2 mt -53.79 -21.41 7.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.507 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLY . 77.2 t90 -83.99 -43.78 14.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.462 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -70.3 -49.55 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.66 -43.6 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.73 -16.19 37.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -104.69 -5.82 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.714 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -27.17 10.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.446 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -102.65 -29.23 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.599 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.26 -29.06 34.6 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 -179.807 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.7 -29.24 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.57 -27.94 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.529 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -24.47 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -101.31 -15.96 17.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.615 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' TYR . 6.9 t -83.04 -38.02 23.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' TYR . 56.1 mt-10 -56.03 -67.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.502 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -42.27 -29.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.0 -27.43 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.3 t80 -50.91 -30.03 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -81.89 -16.8 49.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -98.53 -54.12 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.575 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -44.49 -42.69 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.615 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -48.85 -31.58 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -102.08 -42.6 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.66 30.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -129.24 25.01 4.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.32 17.34 3.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.666 0.27 . . . . 1.0 110.547 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 120.768 0.237 . . . . 1.0 112.039 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.89 -69.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.74 -43.01 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.098 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -56.82 -63.27 1.26 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.383 179.82 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -43.88 -57.8 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.536 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 tp -49.52 -43.69 45.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 38' ' ' VAL . 97.3 t -86.09 0.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.819 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.6 t80 -98.45 -32.36 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.423 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.8 -25.58 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -105.57 -30.46 9.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.44 -0.2 79.89 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.97 17.85 3.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.614 0.245 . . . . 1.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.5 m -129.07 -44.14 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.572 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.33 -1.44 47.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -99.2 -48.29 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 1.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.87 -51.29 35.67 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.39 -49.04 62.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.308 . . . . 1.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.0 t -59.7 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.495 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.91 -31.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -77.05 -50.9 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 29.5 t -61.91 -51.63 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -50.07 -10.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.2 mtp85 -107.79 -18.43 13.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.797 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.14 -27.65 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.394 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -102.62 -26.09 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.19 -29.3 50.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 1.0 110.624 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 -22.87 12.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 1.0 110.323 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -103.3 -17.38 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.225 179.801 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.06 -29.29 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.511 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 9.43 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' TYR . 21.0 p -122.49 -52.37 1.93 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.516 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.07 -25.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.523 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t -85.6 -34.95 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.695 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' TRP . 3.3 mm-40 -94.09 -2.93 52.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.239 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' SER . 30.9 t80 -48.15 -30.75 4.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.75 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.6 p -78.57 -22.36 47.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.661 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -101.83 -57.64 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.77 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -39.95 -42.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.835 -179.867 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 10.7 ttpt -49.91 -37.61 32.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.7 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 74.2 m -98.26 -42.27 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -102.92 48.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.6 3.63 3.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.72 34.05 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 1.0 110.316 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.033 -179.928 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.495 1.574 0 CA-C-O 120.803 0.251 . . . . 1.0 112.038 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -69.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 mt -57.81 -47.66 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.144 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -55.84 3.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.13 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -63.16 -51.14 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.371 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.8 tp -49.74 -39.82 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.383 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.6 -20.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.956 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -77.67 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.761 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.03 -9.08 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -81.64 -59.01 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -68.82 -55.0 12.02 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 43' ' ' THR . 12.9 m -47.79 -12.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.669 -0.312 . . . . 1.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.3 m -109.69 -26.61 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -114.96 17.01 17.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -139.86 -46.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.35 -179.926 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -67.86 -50.84 38.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.22 -52.62 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 1.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.0 t -60.52 -68.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.468 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.1 mt -49.53 -24.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLY . 74.7 t90 -79.81 -41.02 27.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.457 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -69.36 -49.5 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.42 -45.71 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.488 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -21.57 15.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 7.3 mtp85 -96.96 -5.35 38.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.695 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 -19.84 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -23.36 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.385 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.93 -27.86 59.75 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 1.0 110.538 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.477 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.97 -22.68 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.761 0.315 . . . . 1.0 110.438 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.01 -16.01 16.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.21 -27.82 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.71 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -92.04 -32.03 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' TYR . 37.1 m -80.16 -36.38 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' TYR . 5.4 mt-10 -41.61 -71.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -43.05 -36.33 1.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.73 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.34 34.73 3.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.773 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.9 t80 -98.49 -44.39 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.311 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -66.43 -11.35 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.93 -52.3 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.589 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -40.68 -42.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.783 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -46.84 -37.4 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -13.95 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' ASP . 19.9 m -111.21 20.21 17.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.9 -10.3 75.89 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.72 41.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.0 110.323 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.952 -179.834 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.494 1.538 0 CA-C-O 120.786 0.244 . . . . 1.0 111.938 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mm -52.09 -52.86 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.366 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -41.69 -55.24 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.26 179.885 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -53.29 -65.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.695 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.96 -179.573 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.5 t -116.07 8.62 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' TYR . 75.7 t80 -122.7 -16.83 7.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.014 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.64 0.48 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.692 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.13 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.98 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.96 4.53 65.59 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.104 -0.57 . . . . 1.0 111.689 -179.299 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.31 31.53 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.844 0.354 . . . . 1.0 110.64 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -131.84 -42.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.24 179.704 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.0 17.59 5.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -123.37 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.344 . . . . 1.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.72 -49.41 76.52 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 tp -49.98 -51.71 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.8 t -59.2 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.4 mt -46.83 -27.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -78.77 -45.38 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' LYS . 15.5 m -66.66 -51.54 54.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -53.69 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.42 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -49.06 -46.17 44.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.462 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.609 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -77.04 -26.78 54.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.494 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.6 tptm -63.27 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -84.33 -13.55 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.23 -30.45 37.5 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.509 0 N-CA-C 110.51 -1.036 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.18 -22.12 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 1.0 110.355 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -107.11 -17.75 14.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.84 -27.33 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -87.11 -5.99 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 52.7 p -91.55 -60.13 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.598 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OG ' ' A' ' 17' ' ' SER . 8.5 mt-10 -45.62 -52.44 10.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -54.81 -30.08 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -91.77 -11.72 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.16 -61.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 p -53.69 -16.47 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -48.03 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.29 -48.74 9.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.568 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -48.01 -28.78 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.57 -41.22 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 m -78.27 6.05 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -88.45 3.82 85.25 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.75 37.5 2.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 1.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo . . . . . 0 N--CA 1.494 1.517 0 CA-C-O 120.82 0.258 . . . . 1.0 112.049 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.61 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.93 -55.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -49.22 4.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.35 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.0 mmt -69.34 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.605 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HA ' HD21 ' A' ' 40' ' ' LEU . 1.4 tp -46.94 -14.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.707 -179.868 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' MET . 24.1 t -104.38 -21.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.678 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' MET . 71.6 t80 -95.64 -12.21 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.778 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -103.9 -6.18 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 1.0 110.203 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.7 -46.47 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.47 2.82 59.23 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.1 -0.572 . . . . 1.0 111.711 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -131.5 27.2 4.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 1.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 36.1 m -131.16 -48.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.11 -5.86 32.46 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.69 -56.23 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 1.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.63 -45.44 93.26 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.53 -48.57 78.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 1.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.78 -70.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.485 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.7 mt -42.59 -30.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.3 t90 -76.07 -50.64 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.87 -41.6 97.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.476 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.38 -45.68 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.696 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -14.7 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.619 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.67 5.52 21.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -27.16 5.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.324 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -34.71 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.07 39.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.0 110.573 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.68 -27.81 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 1.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.6 -24.41 17.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -25.44 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -91.69 -26.05 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -50.56 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -48.33 -27.63 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -92.49 -17.06 25.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 28.2 t80 -69.23 -48.22 62.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.514 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -59.61 -15.22 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -47.87 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.7 t90 -44.68 -41.85 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -49.97 -36.09 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -43.89 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -69.83 -11.08 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.602 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -82.74 5.63 73.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.95 -3.87 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 1.0 110.617 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.725 179.998 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo . . . . . 0 N--CA 1.494 1.534 0 CA-C-O 120.804 0.252 . . . . 1.0 111.986 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.49 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.549 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.6 -42.98 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -57.75 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.552 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.78 -26.66 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.32 -21.6 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.601 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' THR . 28.5 t80 -79.85 -58.07 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.38 1.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.46 -65.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.91 11.78 71.34 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.106 -0.798 . . . . 1.0 111.106 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.82 31.71 3.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.833 0.349 . . . . 1.0 110.553 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -135.07 -50.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.427 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.97 -12.44 31.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.551 ' ND2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.73 -54.15 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 1.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -58.69 -47.31 90.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.28 -45.32 91.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.734 0.302 . . . . 1.0 110.413 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -64.17 -69.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.458 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' ND2' ' A' ' 46' ' ' ASN . 97.1 mt -41.73 -33.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.264 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 79.7 t90 -70.61 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.794 179.545 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -53.45 -50.77 64.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.367 179.522 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.51 -45.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -31.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 1.1 mmt180 -91.63 -30.39 16.37 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.223 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -59.3 -57.87 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -81.93 -25.05 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.83 -25.83 72.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m170 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 1.0 110.514 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.11 -27.15 17.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 1.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.37 -12.41 14.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -13.58 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.79 -10.53 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.628 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -98.02 -51.15 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.63 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -48.91 -12.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -86.37 -35.65 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.24 -37.71 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.4 t80 -51.03 -33.57 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.05 13.26 4.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' SER . 10.5 m-20 -136.18 -29.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.412 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.11 -53.43 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.353 179.846 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 14.5 ttpt -47.87 -37.34 13.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.989 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -101.19 -8.63 22.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.139 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ASP . 23.0 t 51.78 50.93 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.057 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.9 -4.07 54.56 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.57 16.06 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.068 -179.598 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.493 1.474 0 CA-C-O 120.88 0.283 . . . . 1.0 112.009 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -71.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.65 -45.83 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.3 mmt -56.66 -55.51 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.7 tp -48.04 -30.17 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.62 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.9 t -96.81 -9.95 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.707 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' MET . 15.6 t80 -89.02 -57.56 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.636 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 1.02 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.696 -179.842 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 37' ' ' LEU . 95.7 mt -124.85 -28.57 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.36 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.55 0.42 58.18 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -135.07 17.58 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.691 0.282 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -127.71 -46.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.221 179.848 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.43 17.92 23.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 41.3 m-80 -133.82 -62.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 1.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.87 62.34 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.05 -52.93 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.778 0.323 . . . . 1.0 110.327 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.03 -60.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.527 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.54 -23.7 28.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.2 t90 -82.64 -44.79 15.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -71.72 -47.57 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.473 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.92 -35.06 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.29 -17.69 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.3 mtm-85 -107.18 -4.24 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.741 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -29.09 10.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -101.54 -25.69 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.03 -32.92 25.03 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 110.644 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.08 -31.24 5.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.4 p-10 -96.35 -27.45 14.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.621 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.37 -21.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 14' ' ' ASP . 8.6 pt20 -90.96 -25.87 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ASP . 8.9 t -71.42 -43.06 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.09 -15.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' N ' ' C ' ' A' ' 17' ' ' SER . 74.1 m -68.54 -27.29 65.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.606 -179.861 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.9 mm-40 -91.2 -6.59 53.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 35.3 t80 -49.21 -28.73 4.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.68 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -80.54 -20.84 42.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.707 -179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.0 m-20 -105.74 -57.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -37.98 -33.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.139 -179.904 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 32.6 tttm -50.07 -42.15 49.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.586 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -111.36 -35.3 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -108.84 48.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' O ' ' CD ' ' A' ' 32' ' ' PRO . . . -129.3 -5.64 4.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.51 26.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 1.0 110.522 179.871 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.286 -179.937 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' CD ' ' O ' ' A' ' 28' ' ' GLY . 87.9 Cg_exo . . . . . 0 N--CA 1.493 1.457 0 CA-C-O 120.714 0.214 . . . . 1.0 112.304 . . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -64.94 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.305 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -66.27 -26.24 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.192 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -68.92 -56.86 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.313 179.811 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.416 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.62 -61.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.29 -38.82 54.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.3 t -88.65 2.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' TYR . 36.3 t80 -97.29 -55.76 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.568 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 36' ' ' MET . 0.3 OUTLIER -72.75 -5.74 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.45 -12.29 7.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.549 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.73 -6.22 6.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 3.0 m -136.68 32.04 2.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -128.93 -47.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.063 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.36 15.41 6.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.346 -1.102 . . . . 1.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -123.72 -59.47 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 1.0 110.592 -179.793 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 -49.96 67.83 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.48 -50.17 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 1.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.96 -70.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.497 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' N ' HG12 ' A' ' 49' ' ' VAL . 95.2 mt -44.11 -27.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.464 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.54 -48.21 13.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.561 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.08 -43.05 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.7 t -59.89 -46.5 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.9 -16.02 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mtm-85 -107.93 4.75 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.709 -179.76 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 -25.53 5.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 033 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -103.39 -23.95 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.41 -29.71 48.26 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 1.0 110.536 -179.936 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.75 -30.0 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 1.0 110.315 179.856 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.1 m-20 -101.78 -24.31 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -48.59 -20.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.14 -26.01 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.0 p -70.74 -40.42 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.527 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -42.05 -24.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -82.67 -36.76 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.9 mm-40 -99.32 2.29 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.6 t80 -75.44 -66.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p -49.15 -21.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -48.05 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.512 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -45.44 -50.46 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -47.3 -25.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.578 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -101.76 -45.26 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -87.77 22.8 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.41 33.83 2.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.05 3.77 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 1.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.494 1.527 0 CA-C-O 120.801 0.25 . . . . 1.0 112.08 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.95 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 34' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.51 -52.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -41.51 -58.05 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.427 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -51.21 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.637 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.48 -13.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.654 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 38' ' ' VAL . 93.6 t -116.91 5.39 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.645 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 52.1 t80 -119.04 -13.62 9.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.758 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.1 pp -122.14 -18.14 6.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -112.06 -45.82 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.736 179.85 . . . . . . . . 3 3 . 1 . 034 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.66 -0.98 85.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 43' ' ' THR . 85.0 m -131.31 19.96 4.83 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.768 0.318 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 91.9 m -125.23 -37.1 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.454 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.26 23.03 4.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -135.26 -43.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 1.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -43.07 39.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.27 -49.58 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.2 t -60.67 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.1 mt -42.14 -26.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.636 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.0 t90 -83.46 -47.94 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.629 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.46 -43.98 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.51 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.9 -48.66 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.671 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.24 -16.73 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.636 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.8 mtm-85 -103.84 -9.65 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.646 -179.841 . . . . . . . . 2 2 . 1 . 034 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -105.81 -24.27 12.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.114 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -97.74 -19.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.707 179.36 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.42 -47.18 92.13 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 109.81 -1.316 . . . . 1.0 109.81 179.221 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.378 . . . . 1.0 110.283 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.35 -28.05 16.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.832 0.348 . . . . 1.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.99 -15.56 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.288 179.819 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -20.37 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.479 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -100.51 -1.22 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 19' ' ' CYS . 17.8 p -98.38 -37.85 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -46.72 -18.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 17' ' ' SER . 31.3 t -75.49 -40.98 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.59 -7.95 30.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 32.0 t80 -54.08 -30.63 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.679 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 4.92 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -125.85 -56.15 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.314 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.66 -36.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.784 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 47.0 tttp -46.49 -39.11 10.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -110.28 -36.38 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -96.55 31.08 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.39 28.21 3.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.91 11.1 5.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 1.0 110.798 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.469 ' O ' ' SD ' ' A' ' 36' ' ' MET . 49.4 Cg_exo . . . . . 0 N--CA 1.495 1.577 0 CA-C-O 120.742 0.226 . . . . 1.0 112.428 . . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -69.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.475 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -35.97 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.966 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.33 -61.31 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.657 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -40.89 -52.08 3.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.73 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -35.25 72.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.642 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 38' ' ' VAL . 88.8 t -95.65 0.75 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' TYR . 10.3 t80 -95.64 -59.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.55 -9.1 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.4 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.15 -59.65 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.843 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -80.29 -48.24 6.5 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -51.96 -6.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.939 -0.304 . . . . 1.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 42' ' ' GLY . 1.8 m -107.07 -29.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.428 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.2 25.55 5.44 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 m120 -153.78 -52.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 1.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.12 -40.12 88.32 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.87 -55.73 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 t -58.32 -64.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.381 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -47.58 -30.42 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.341 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -79.46 -42.75 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -48.54 70.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.284 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.28 -45.6 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.472 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -64.74 -28.24 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.381 179.814 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.664 ' HE ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.59 -11.99 56.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.572 179.795 . . . . . . . . 3 3 . 1 . 035 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -32.13 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.731 -179.543 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -13.59 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.3 -53.4 2.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 1.0 110.68 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.18 -36.14 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 1.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.63 -26.02 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.475 179.87 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -15.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -100.99 -14.28 17.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' H ' ' A' ' 19' ' ' CYS . 43.9 t -98.3 -27.02 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -56.58 -5.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' A' ' 17' ' ' SER . 25.3 t -101.5 -35.45 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.97 -25.89 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.7 t80 -49.97 -35.77 25.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -75.15 -18.3 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.9 -53.49 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -45.42 -51.68 11.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.579 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -49.81 -22.8 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.14 -47.12 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -86.02 13.62 7.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.512 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -123.75 36.17 3.07 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.7 -2.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.284 . . . . 1.0 110.68 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo . . . . . 0 N--CA 1.493 1.484 0 CA-C-O 120.829 0.262 . . . . 1.0 112.023 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -69.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.736 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.84 -47.96 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 1.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -47.27 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 1.2 tp -61.26 -36.93 81.35 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 38' ' ' VAL . 25.5 t -79.52 -9.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.93 0.395 . . . . 1.0 110.234 179.758 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -99.6 -53.41 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.76 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -86.74 -22.67 25.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.655 -179.905 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -115.71 23.06 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.208 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.01 -32.48 0.04 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.464 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -119.29 34.99 4.99 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.69 0.281 . . . . 1.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.6 m -140.31 -59.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.427 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.19 -15.24 65.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -67.88 -56.11 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 1.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.73 -51.77 57.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.05 -46.42 53.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.218 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.14 -58.84 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 90.9 mt -60.12 -10.99 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.506 179.806 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' NH1' ' A' ' 55' ' ' ARG . 27.8 t90 -99.85 -37.43 9.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 m -81.05 -42.34 21.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.452 . . . . 1.0 109.84 179.287 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.74 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.108 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -58.27 -23.54 56.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 21.8 mtt180 -94.23 -22.28 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -91.89 -27.33 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.483 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -104.19 -8.83 19.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.402 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.64 -32.3 11.66 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 1.0 110.593 179.945 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.39 -28.19 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 1.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.05 -37.55 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -34.67 42.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -96.57 6.02 49.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.519 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' TYR . 4.2 t -103.18 -46.66 4.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -39.56 -57.63 1.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -55.22 -28.93 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' SER . 19.1 mm-40 -110.08 15.54 22.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.8 t80 -78.01 -53.08 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 1.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 p -56.87 -14.5 3.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.404 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -52.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -39.24 -41.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.073 -179.765 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -44.0 -38.24 3.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.58 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -110.91 -36.75 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 t -91.74 18.08 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.481 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -81.06 -3.36 90.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.72 -7.62 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.695 0.284 . . . . 1.0 110.76 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.214 -179.717 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 41.7 Cg_exo . . . . . 0 N--CA 1.494 1.537 0 CA-C-O 120.842 0.268 . . . . 1.0 112.136 . . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.95 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.233 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.45 -45.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 1.0 109.934 179.469 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -42.34 -52.09 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.027 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -47.7 -63.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.28 179.717 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.4 tp -51.96 -41.78 62.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.352 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 38' ' ' VAL . 84.2 t -80.67 -2.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.95 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 35' ' ' TYR . 78.0 t80 -105.17 -33.35 8.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.546 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.12 -2.88 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -123.74 -30.71 3.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.096 179.623 . . . . . . . . 3 3 . 1 . 037 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -2.99 59.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.07 22.16 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 m -123.44 -37.88 2.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.441 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.51 19.06 4.56 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 15.0 m-80 -126.24 -47.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 1.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.75 -48.54 8.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.05 -41.78 88.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 1.0 110.333 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.76 -62.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 46' ' ' ASN . 8.3 mt -51.99 -25.39 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 69.8 t90 -85.14 -48.53 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.635 -179.797 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -64.83 -39.49 93.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.503 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 t -63.16 -45.95 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -18.03 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.774 -179.84 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.1 mtm-85 -106.97 2.68 25.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.925 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -119.28 -25.62 6.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.223 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -102.6 -27.61 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.79 -34.62 27.17 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.591 -1.004 . . . . 1.0 110.591 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 1.0 110.601 -179.995 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.08 -25.36 13.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.927 0.394 . . . . 1.0 110.287 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.95 -18.58 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.138 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -33.49 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 16.36 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.3 p -116.25 -54.23 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' OG ' ' A' ' 17' ' ' SER . 55.2 mt-10 -62.78 -43.87 97.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -71.08 -33.53 70.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.695 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -102.64 11.77 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.77 -179.852 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -76.1 -49.73 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.535 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -61.3 -25.33 67.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.52 -45.64 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.757 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -43.44 -52.61 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.8 -179.875 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -42.1 -26.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.562 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 t -106.13 -42.97 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 29' ' ' ALA . 17.2 m -76.83 0.45 20.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -55.9 -5.68 1.03 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -98.54 1.91 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.778 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 N--CA 1.495 1.573 0 CA-C-O 120.72 0.217 . . . . 1.0 112.034 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -64.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.13 -47.52 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -43.57 -52.51 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.6 mmt -50.38 -66.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.666 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.54 -23.16 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.0 -179.643 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 38' ' ' VAL . 69.2 t -107.29 9.49 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.096 -179.785 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 35' ' ' TYR . 89.6 t80 -120.81 -25.51 5.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.7 -0.31 18.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.754 -179.843 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -131.27 -37.57 1.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.53 179.747 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.81 -6.12 60.81 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.453 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.18 27.65 2.87 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 m -136.96 -52.43 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.378 179.794 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.31 -7.22 59.51 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.7 -51.97 6.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 1.0 110.556 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.12 -48.78 44.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.13 -49.38 69.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 1.0 110.386 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.78 -69.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -46.52 -22.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 72.0 t90 -85.15 -45.67 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -70.35 -44.82 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.67 -38.9 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.661 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.35 -15.6 63.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -109.5 0.17 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.113 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -29.38 7.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.334 179.668 . . . . . . . . 2 2 . 1 . 038 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -98.25 -29.53 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.81 -37.56 6.38 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 -179.741 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.73 -34.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.12 -35.6 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -28.14 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.1 -9.61 33.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' GLU . 28.3 p -87.49 -50.03 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -41.84 -27.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -75.51 -40.93 56.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.0 pt-20 -96.84 -0.46 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.658 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' SER . 37.1 t80 -69.48 -31.81 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.574 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -79.36 -16.15 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.56 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.578 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.19 -43.77 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -49.88 -34.07 19.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 t -97.51 -35.04 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -90.78 15.49 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.08 -9.29 77.25 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.91 43.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 1.0 110.249 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.971 -179.893 . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 120.761 0.234 . . . . 1.0 111.999 . . . . . . . . . 0 0 . 1 . 039 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.9 -42.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -55.57 32.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.57 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.7 -58.17 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.13 -26.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.734 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.8 t -95.01 -24.71 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -76.8 -58.23 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.638 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.59 1.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.4 -66.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.658 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.87 12.16 70.22 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.77 32.07 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 1.0 110.589 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.8 -51.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.36 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.84 1.28 30.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.671 -0.971 . . . . 1.0 110.671 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -102.47 -61.39 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.01 56.55 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.89 -51.11 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.307 . . . . 1.0 110.278 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.4 t -60.27 -67.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 49' ' ' VAL . 74.3 mt -45.91 -26.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 67.9 t90 -82.87 -46.68 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -67.54 -45.49 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.14 -48.03 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.727 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -55.17 -18.75 6.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.678 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.7 mtm-85 -101.43 -9.23 21.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 -179.663 . . . . . . . . 2 2 . 1 . 039 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -107.23 -23.96 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.406 . . . . 1.0 109.932 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -89.48 -27.35 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.751 179.44 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.3 -51.08 15.96 Favored Glycine 0 C--N 1.33 0.204 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 42.8 t60 . . . . . 0 C--N 1.321 -0.644 0 CA-C-O 121.635 0.731 . . . . 1.0 109.914 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.43 -27.72 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 1.0 110.655 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -89.32 -31.78 17.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.622 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -51.35 -28.01 11.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.596 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.3 25.18 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -136.89 -48.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.541 179.981 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.96 -20.96 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -101.44 -29.77 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.85 -16.67 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 1.2 t80 -67.79 -37.76 82.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -18.64 61.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.59 -55.78 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.65 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.82 -40.55 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -51.88 -37.07 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -97.85 -30.76 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -92.76 13.46 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.538 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.85 0.12 87.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.03 41.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 1.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.944 179.952 . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 N--CA 1.494 1.503 0 CA-C-O 120.742 0.226 . . . . 1.0 112.111 . . . . . . . . . 0 0 . 1 . 040 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.2 -69.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.02 -47.28 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.138 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -52.77 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.427 179.831 . . . . . . . . 3 3 . 1 . 040 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -56.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 42.2 tp -49.66 -32.02 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.409 -179.747 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 38' ' ' VAL . 68.8 t -97.08 -4.14 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 1.0 110.624 -179.429 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.4 t80 -90.31 -41.74 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.672 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.05 -18.88 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 41' ' ' LEU . 4.0 pp -111.94 -9.97 13.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.325 179.674 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 42' ' ' GLY . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -108.06 2.25 33.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -130.89 6.31 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.625 0.25 . . . . 1.0 110.59 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 4.1 t -118.53 -38.06 3.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -115.06 9.93 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.632 -0.987 . . . . 1.0 110.632 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -134.29 -50.64 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 1.0 110.44 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 51' ' ' TRP . . . -59.38 -50.41 68.03 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -48.82 -52.11 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 1.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.5 t -60.55 -68.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HG12 ' A' ' 49' ' ' VAL . 84.1 mt -49.19 -22.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 51' ' ' TRP . . . . . 0.407 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 73.8 t90 -84.49 -43.99 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -67.98 -43.38 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.2 t -64.59 -50.81 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.57 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -48.88 -13.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.461 179.883 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 53' ' ' VAL . 8.6 mtp85 -103.05 -22.06 13.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.666 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.2 ptmt -94.44 -28.71 15.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.441 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -101.42 -12.09 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.35 -33.51 19.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.9 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -143.32 89.04 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CE1' ' A' ' 7' ' ' PHE . 3.8 mt-10 -54.37 160.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.85 112.16 0.09 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.02 49.25 2.5 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -172.57 58.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 1.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' A' ' 3' ' ' GLU . 2.2 m-85 -101.53 120.61 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.555 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 2.6 t70 -85.89 -42.21 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.555 ' ND2' ' O ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER 45.22 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER 55.53 116.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.017 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 44.05 39.49 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.53 -29.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -95.21 -25.54 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.455 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 40.9 m-20 -108.65 -17.54 13.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' OD1' ' OE2' ' A' ' 18' ' ' GLU . 6.8 t30 -50.6 -21.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.98 -25.68 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ASP . 4.5 t -81.93 -28.4 32.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' A' ' 15' ' ' ASN . 8.0 pt-20 -52.82 -21.55 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.9 m -87.97 -30.11 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -89.13 -23.67 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 3.7 t80 -50.81 -35.37 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 p -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -92.18 -55.16 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -45.33 -49.22 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.602 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -54.19 -24.38 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 34.5 m -94.26 -49.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.77 23.44 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -132.36 30.97 3.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.45 -18.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.679 0.276 . . . . 1.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.88 -12.06 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.129 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.2 mm -85.94 -35.35 0.51 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.4 Cg_exo -60.31 -30.03 90.18 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.064 1.843 . . . . 1.0 112.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.41 -70.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.02 -50.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -45.08 -57.6 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.0 mmt -61.12 -62.2 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.72 -21.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' MET . 33.9 t -101.0 -24.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 29.6 t80 -78.45 -57.33 3.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 2.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 mt -100.61 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.595 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.95 10.69 71.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.059 -0.816 . . . . 1.0 111.059 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.78 32.12 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 1.0 110.615 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.99 -50.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.77 -13.42 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.84 -54.53 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 1.0 110.496 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.604 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -57.18 -47.64 86.07 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 tp -56.94 -50.38 72.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 1.0 110.355 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.7 t -60.33 -69.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.5 mt -45.64 -28.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -78.46 -49.0 14.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 m -62.33 -46.94 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.54 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.0 -47.28 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.2 m-85 -53.71 -12.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -105.28 -13.46 15.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -29.44 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -99.94 -28.7 12.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.7 -28.05 57.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -14.53 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 1.0 110.613 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.444 ' HD1' ' CE1' ' A' ' 64' ' ' HIS . 18.1 m80 -137.45 -92.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -150.79 -63.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -168.86 114.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' HIS . 23.7 t-80 49.36 40.64 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.417 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CE1' ' HD1' ' A' ' 60' ' ' HIS . 54.7 m-70 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.021 -0.99 . . . . 1.0 110.591 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' THR . 43.7 mm-40 -50.58 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.605 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' OE2' ' CE2' ' A' ' 51' ' ' TRP . 2.7 pt-20 -57.51 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.46 54.0 14.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.63 75.12 0.88 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.16 70.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.649 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -80.16 179.32 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.88 13.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.751 HD22 ' H ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -41.52 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.701 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.751 ' H ' HD22 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -40.63 157.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.592 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 t80 43.09 38.25 1.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.362 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 27.01 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB2' ' C ' ' A' ' 9' ' ' ASN . . . -112.09 -34.96 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 1.0 110.475 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.53 -22.3 21.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.6 -25.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -25.88 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.8 t -81.98 -25.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.565 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.3 mt-10 -59.56 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -46.42 -27.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 71.4 mm-40 -88.94 -20.85 23.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.667 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' SER . 33.5 t80 -48.44 -29.03 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -79.4 -21.88 45.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -106.88 -56.6 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.743 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.06 -34.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.975 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 16.5 tttp -52.9 -42.13 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.521 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 m -108.61 -15.33 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.761 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.2 m -102.45 0.23 33.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -76.72 3.51 55.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.93 -6.03 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.688 0.28 . . . . 1.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -132.22 -5.72 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.4 mt -78.41 -33.44 0.93 Allowed Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.733 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.6 Cg_exo -57.9 -31.18 91.95 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.897 1.731 . . . . 1.0 112.066 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.86 -36.64 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.257 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.07 -62.79 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -52.12 -57.4 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.613 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -48.75 -34.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.506 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.44 -20.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' TYR . 3.7 t80 -77.53 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.46 0.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.9 mt -101.54 -52.18 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.64 10.71 61.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.426 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -133.63 24.84 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.696 0.284 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -129.78 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.45 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.6 17.97 6.42 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -126.8 -50.62 1.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.864 0.364 . . . . 1.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.31 -45.99 82.0 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.32 -51.5 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 1.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.1 t -59.42 -65.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -48.57 -28.72 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.471 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.4 t90 -78.43 -47.73 16.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.452 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' LYS . 18.0 m -64.91 -51.97 59.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.396 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.1 t -52.44 -53.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.385 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.44 -46.99 48.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.479 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -75.79 -26.54 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.463 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' THR . 7.5 tptm -62.41 -55.49 27.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -84.17 -15.61 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.76 -29.6 47.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -17.42 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 1.0 110.499 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 0.7 OUTLIER -125.33 51.21 1.71 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.567 -179.907 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.3 t-80 -102.49 -153.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.513 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -99.36 -70.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.535 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -100.79 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.542 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 mtt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 57.26 -175.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 49.73 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.11 131.23 1.2 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -174.28 28.89 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -170.71 54.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 1.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -48.72 130.8 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 31.74 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -45.18 -62.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -72.62 37.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.654 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' TYR . 53.0 m-85 -162.62 39.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.253 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.01 27.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.88 -35.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 1.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 16' ' ' GLN . 20.5 m-20 -98.03 -23.43 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.83 -13.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.48 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 14' ' ' ASP . 3.7 pp0? -100.17 -24.29 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -83.31 -25.35 31.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.524 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.41 -5.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.485 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' H ' ' C ' ' A' ' 17' ' ' SER . 5.6 m -101.54 -43.09 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -85.77 -17.45 35.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.54 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.58 80.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -13.37 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.573 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.39 -47.03 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -52.69 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -46.89 -23.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -101.55 -44.68 5.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -79.26 11.6 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.72 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.42 8.0 80.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.08 20.83 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.28 -31.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.29 -36.79 5.1 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.433 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -60.02 -30.15 90.92 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.175 1.916 . . . . 1.0 111.952 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.7 -39.6 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -62.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.521 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.03 -54.23 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 tp -47.74 -30.08 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.6 t -92.91 -23.1 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 2.3 t80 -76.7 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.7 0.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.1 mt -97.16 -59.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.557 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.02 9.19 65.54 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -131.96 32.63 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 1.0 110.566 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.3 m -136.79 -51.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.0 -6.8 48.37 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -83.56 -51.35 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -65.34 -53.5 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -49.48 -51.46 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 1.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.4 t -60.2 -72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.462 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 93.5 mt -44.59 -26.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.476 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.44 -47.89 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.483 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.51 -42.28 87.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.23 -45.41 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.24 -14.83 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -110.62 5.04 20.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.82 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -120.42 -27.18 5.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.331 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -101.43 -32.87 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.54 -30.1 34.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -54.82 -36.2 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 1.0 110.595 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 61' ' ' HIS . 25.8 t-80 -55.99 -109.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.57 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 59.8 m-70 -152.11 -55.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -156.59 -44.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 4.3 t-80 -98.22 41.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.37 73.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -172.49 56.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.493 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.88 -31.78 2.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.75 -148.69 19.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -149.62 47.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 1.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.61 176.83 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -74.47 8.18 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.557 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 11' ' ' TYR . 2.6 t-20 -58.88 -32.72 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -62.97 70.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' ASN . 21.1 m-85 40.11 39.75 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.593 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.97 54.22 3.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.8 -31.82 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 1.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -84.29 -28.75 26.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.466 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.62 -27.29 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.461 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -103.42 -2.19 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -101.92 -41.14 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.09 -23.31 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.41 -29.85 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -94.26 -23.86 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.38 -32.68 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.7 p -77.72 -20.51 53.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -51.94 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -44.27 -56.57 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.545 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -47.04 -22.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.39 -47.8 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.673 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -77.48 2.92 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -94.25 1.11 66.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.16 41.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -174.0 -28.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.031 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -75.27 -32.65 1.27 Allowed Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -58.28 -23.47 62.74 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.855 1.703 . . . . 1.0 112.036 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.634 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -49.08 -48.14 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -51.75 -55.24 20.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.11 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.639 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.8 tp -46.91 -17.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 36' ' ' MET . 35.9 t -101.89 -24.65 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' MET . 34.8 t80 -80.54 -56.2 4.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.95 1.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -101.22 -61.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.58 10.58 72.58 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -136.2 33.27 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 1.0 110.525 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -135.94 -51.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -105.04 -6.72 39.35 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -83.39 -51.08 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.42 39.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tp -53.5 -45.01 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' GLY . 5.1 t -59.5 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.38 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.35 -25.68 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -81.44 -47.39 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 m -64.4 -45.75 86.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.81 -46.14 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -16.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.1 mtp85 -101.48 -12.3 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.69 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -29.69 11.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -100.48 -30.89 11.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.95 -27.54 60.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -37.43 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -97.4 74.67 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 7.4 m-70 -73.55 4.64 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.584 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 2.1 t-160 77.97 -34.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 62' ' ' HIS . 1.0 OUTLIER -134.81 41.85 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.574 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.24 152.35 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.16 -167.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.34 -117.5 0.46 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.68 -134.96 6.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 59.25 50.65 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 1.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.3 144.95 52.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.576 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.73 22.31 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.601 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' ALA . 3.6 p30 -46.17 -79.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' H ' ' CG ' ' A' ' 9' ' ' ASN . 72.5 m-85 -41.7 146.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.578 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 t80 51.96 41.63 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.78 -29.27 0.06 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -94.03 -26.11 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 12.6 p-10 -109.25 -16.97 13.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -50.87 -19.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.61 -25.3 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.552 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' N ' ' A' ' 19' ' ' CYS . 67.1 p -78.15 -49.5 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.589 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -49.54 -14.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.581 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.429 ' N ' ' C ' ' A' ' 17' ' ' SER . 16.5 t -68.41 -28.88 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -94.33 9.27 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.451 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.81 -46.83 62.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.9 p -62.84 -25.91 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.59 -39.93 11.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.532 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLY . 21.3 t90 -46.9 -52.95 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -46.6 -31.86 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -89.27 -49.41 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 m -84.55 16.52 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -127.12 35.97 2.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.54 -3.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.68 0.276 . . . . 1.0 110.652 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.87 -34.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -74.1 -35.42 2.35 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.418 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.7 Cg_exo -60.6 -33.06 93.99 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.112 1.875 . . . . 1.0 111.976 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.12 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.19 -46.2 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -64.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.413 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.2 mmt -61.25 -56.49 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.03 -25.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -101.14 -26.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -71.21 -58.03 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.28 -36.43 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -71.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -57.84 -57.69 18.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 43' ' ' THR . 9.0 m -48.2 -13.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.282 . . . . 1.0 110.691 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' C ' ' A' ' 42' ' ' GLY . 95.8 m -110.82 -26.51 9.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.61 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.82 -4.63 56.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.045 -0.822 . . . . 1.0 111.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -106.93 -44.32 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.802 0.334 . . . . 1.0 110.576 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.419 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.1 -56.52 8.83 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.64 -47.82 20.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 1.0 110.388 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.6 t -62.15 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.499 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.6 mt -42.0 -30.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 77.9 t90 -72.97 -51.01 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.297 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -56.83 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.062 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 t -43.43 -38.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.523 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.25 -52.38 54.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -72.23 -9.59 58.66 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.554 -0.536 . . . . 1.0 109.554 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -87.06 -51.88 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.324 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -23.82 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.619 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.55 -28.77 51.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -57.93 -14.94 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.0 110.587 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 6.6 t60 -83.11 7.31 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.525 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -100.53 -174.62 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.52 -78.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 25.6 m80 -93.7 41.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 13.6 p80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.524 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -80.25 -164.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.6 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -173.02 151.4 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.27 126.4 1.0 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.98 55.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -146.69 44.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 1.0 110.57 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 9' ' ' ASN . 88.9 m-85 -99.34 -170.43 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.28 16.79 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.563 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 7' ' ' PHE . 39.8 p-10 -54.24 176.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.524 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 41.43 32.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -174.2 39.93 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.386 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.63 29.1 0.04 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 -27.89 2.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.814 0.34 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -28.96 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -50.09 -28.79 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.5 pm0 -91.23 -26.99 18.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' TYR . 62.0 p -74.31 -34.93 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' TYR . 24.2 mt-10 -58.99 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -43.28 -27.77 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.84 -29.4 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.578 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.2 t80 -67.64 -35.06 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 t -78.69 -14.43 59.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.81 -53.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.87 -44.58 9.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -47.81 -30.52 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.8 m -102.59 -42.84 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.52 30.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.612 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -128.94 24.9 4.73 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.12 17.67 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 1.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.62 -36.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mt -72.35 -35.59 3.37 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.496 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.7 Cg_exo -60.81 -32.17 92.55 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.089 1.859 . . . . 1.0 112.02 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -67.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.87 -39.42 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -61.22 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.05 -55.74 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.604 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.93 -35.99 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.2 t -90.61 -8.94 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.2 t80 -84.89 -54.52 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.65 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -3.23 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 86.8 mt -124.5 -2.82 7.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.5 179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.79 4.42 3.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -150.96 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 1.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -129.65 -46.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.306 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.21 5.03 11.15 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.691 -0.963 . . . . 1.0 110.691 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 m120 -103.18 -50.53 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.858 0.361 . . . . 1.0 110.645 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.84 40.16 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.46 -48.0 69.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.422 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.7 t -59.82 -71.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 7.2 mt -41.72 -31.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 78.9 t90 -77.92 -49.0 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.533 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -61.57 -44.92 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.364 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' C ' ' N ' ' A' ' 55' ' ' ARG . 61.4 t -64.22 -48.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-85 -48.87 -12.78 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 23.3 mtm180 -105.45 -19.97 13.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -99.48 -23.83 14.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.554 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -104.13 -15.32 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.01 -30.14 39.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.83 -12.76 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 1.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -138.56 76.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' HIS . 1.1 t-80 -109.11 145.65 35.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.573 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER 54.38 106.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.539 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 49.06 40.61 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.583 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 3.3 pm0 -92.02 90.22 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 157.4 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.46 -64.81 0.04 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.91 -164.43 4.52 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.4 57.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 1.0 110.614 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.67 134.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.51 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -137.68 39.11 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.522 ' O ' ' N ' ' A' ' 11' ' ' TYR . 3.8 t-20 47.68 -178.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.757 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 21.2 t80 -49.26 88.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.326 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' ASN . 16.2 t80 45.42 39.69 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.169 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' ASP . . . 42.91 31.41 1.18 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -33.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 1.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.2 p-10 -91.58 -26.29 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.408 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -47.69 -15.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.485 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 14' ' ' ASP . 10.6 pt20 -101.93 -24.2 14.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.503 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' ASP . 20.1 t -74.18 -36.66 64.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.09 -24.79 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.13 -30.61 69.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -83.29 -6.25 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -95.65 -45.12 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.543 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 1.5 t -67.39 -23.01 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.598 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.98 -42.47 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -54.94 -59.46 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -50.87 -27.95 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -48.86 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.34 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -0.68 15.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.77 -9.82 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp -134.75 0.17 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -75.9 -33.7 1.35 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.631 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.4 Cg_exo -58.41 -25.27 72.67 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.921 1.747 . . . . 1.0 112.065 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.54 -68.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -48.35 -40.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.482 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -62.91 -59.1 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -55.3 36.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.544 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -49.88 -31.57 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.66 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 34' ' ' ILE . 54.4 t -89.74 -19.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.526 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.5 t80 -79.72 -58.85 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 1.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.2 mt -99.05 -65.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.617 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.97 11.45 72.09 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.14 33.17 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.669 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -136.36 -50.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.15 -2.16 38.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -89.13 -49.6 6.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.7 -50.69 34.75 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.21 -48.38 68.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 1.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.5 t -60.13 -72.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -41.49 -30.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.612 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.6 t90 -77.34 -50.69 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.602 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -64.2 -44.74 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.99 -46.25 87.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.74 -14.84 9.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.39 9.64 23.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.745 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.29 -26.81 4.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -98.89 -38.8 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.68 -29.69 42.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -34.67 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 1.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -64.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.623 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 54.2 t-80 -137.52 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.611 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 97.1 m-70 -62.8 -92.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' HIS . 74.0 m80 -88.7 41.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 63' ' ' HIS . 1.9 m-70 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.36 107.71 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.611 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.28 168.7 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.593 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.8 -88.28 0.07 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.58 67.12 0.05 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -149.85 55.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 1.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 49.09 45.87 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.49 55.99 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.575 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -58.06 169.77 0.75 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.538 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.1 t80 58.52 142.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 41.84 40.12 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.468 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.02 30.57 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -127.98 -28.1 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 1.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 4.3 m-20 -96.94 -27.33 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -26.3 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.83 -16.97 19.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 19' ' ' CYS . 82.7 p -76.54 -40.2 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.1 -11.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' H ' ' C ' ' A' ' 17' ' ' SER . 17.6 t -71.82 -29.64 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.539 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.25 -22.74 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.15 -35.03 74.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -74.01 -21.28 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -91.4 -53.21 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -42.83 -49.05 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -57.47 -30.72 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ASP . 13.8 m -81.87 -48.58 11.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -0.65 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.91 6.62 82.75 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 -3.58 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -130.81 -5.29 4.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.0 mt -78.9 -33.28 0.86 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.674 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.2 Cg_exo -58.84 -22.48 62.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.008 1.805 . . . . 1.0 111.985 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.43 -68.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -52.4 -48.06 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -60.58 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.515 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' N ' ' A' ' 38' ' ' VAL . 7.8 mmt -59.02 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -49.08 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' N ' ' C ' ' A' ' 36' ' ' MET . 50.3 t -115.32 -13.45 11.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.3 t80 -95.57 -15.52 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -112.17 2.08 16.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -103.86 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.103 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.56 9.26 58.8 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.092 -0.575 . . . . 1.0 111.829 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 31.14 4.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.891 0.377 . . . . 1.0 110.519 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -138.09 -47.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.341 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.56 -1.24 46.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.65 -50.38 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 1.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.68 -45.16 90.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.36 -48.8 79.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 1.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.0 t -59.74 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.4 mt -43.59 -30.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.535 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 81.1 t90 -77.54 -50.52 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -59.74 -43.95 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.496 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 55' ' ' ARG . 47.3 t -65.47 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.25 -12.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.569 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 26.6 mtm180 -104.08 -22.27 13.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.668 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.7 ptmt -93.98 -29.07 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -101.51 -12.78 18.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.519 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.65 -30.56 26.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -57.72 -15.03 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 1.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.53 16.87 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 12.5 t-80 -94.71 36.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.487 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 1.9 t-160 75.5 -64.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -73.14 52.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.478 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.911 -1.042 . . . . 1.0 110.521 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -141.95 105.08 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.574 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -54.64 119.6 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.13 102.63 0.21 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.27 -154.42 20.13 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' C ' ' CD1' ' A' ' 7' ' ' PHE . 28.0 t70 -171.67 53.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 1.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -150.93 101.9 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.533 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 41.57 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.509 ' N ' ' O ' ' A' ' 7' ' ' PHE . 20.0 t-20 -49.1 -97.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.535 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -41.61 126.37 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 78.83 40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.416 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.01 27.68 0.03 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.0 -27.69 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 1.0 110.593 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.38 -29.46 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -48.09 -28.96 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -80.09 -30.36 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.465 ' C ' ' N ' ' A' ' 19' ' ' CYS . 39.7 t -70.5 -53.0 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.603 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -47.74 -14.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.26 -32.53 18.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.585 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.0 mm-40 -92.31 -31.91 15.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 20.9 t80 -53.14 -32.71 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -18.73 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.37 -57.03 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.8 -42.31 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.528 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -50.68 -36.82 37.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.591 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -95.94 -34.4 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -87.53 13.58 9.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.21 -10.69 74.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.52 43.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 1.0 110.238 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -172.65 -28.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.4 mt -70.72 -34.58 3.78 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.734 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.62 -26.95 83.96 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.87 1.713 . . . . 1.0 111.959 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.36 -69.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.47 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -58.15 -45.64 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.21 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -52.98 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.2 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -66.99 -57.91 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -45.66 -37.67 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.467 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 t -82.38 -29.99 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.016 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.5 t80 -71.63 -59.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.85 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -63.29 0.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.603 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.1 mt -96.06 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.9 3.31 85.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.54 42.34 3.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 21.8 m -140.31 -55.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.98 -8.55 39.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -48.44 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.555 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.99 -46.53 65.67 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 48' ' ' LEU . 41.4 tp -57.11 -49.06 77.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 1.0 110.379 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 50' ' ' LEU . 11.5 t -60.16 -70.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.596 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -42.18 -30.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.529 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -77.66 -50.32 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.561 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -58.51 -42.97 88.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 55' ' ' ARG . 35.6 t -62.9 -47.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -13.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 53' ' ' VAL . 9.6 mtp85 -103.68 -14.83 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -102.41 -28.63 12.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -99.73 -29.95 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.14 -28.64 55.77 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -15.07 11.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -137.56 94.61 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.5 t-80 -67.13 -148.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.532 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.624 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -91.31 -52.45 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.574 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -137.8 43.1 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.7 m80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.596 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.4 pm0 -91.83 77.54 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -56.08 178.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.588 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.39 134.02 8.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -43.73 -86.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 2.2 p30 -172.33 67.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 64.07 156.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.462 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' ASN . 0.5 OUTLIER -93.73 27.37 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.525 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 29.4 p30 -45.95 173.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 52.69 109.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.943 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 79.31 40.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.451 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.45 26.53 0.05 OUTLIER Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -128.29 -27.5 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 1.0 110.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.07 -29.38 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -28.23 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -99.7 -4.28 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.6 p -96.03 -36.09 11.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' TYR . 44.0 mt-10 -54.51 -64.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.558 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -43.02 -29.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -92.26 -27.43 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.5 t80 -52.23 -30.91 29.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 p -76.22 -20.59 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -98.64 -60.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.607 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.436 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -41.56 -31.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.576 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.62 -37.38 56.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' ASP . 58.2 m -95.63 -2.53 48.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -136.17 -53.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.648 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 24' ' ' TRP . . . -60.21 -1.08 1.4 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -102.93 -9.08 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 1.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.65 7.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -75.78 -33.59 1.35 Allowed Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.4 Cg_exo -58.51 -19.05 42.45 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.939 1.759 . . . . 1.0 111.993 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -54.06 -36.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -57.44 8.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.94 -57.7 11.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.622 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 tp -46.65 -28.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.517 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.8 t -98.07 -13.2 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 17.7 t80 -81.05 -48.27 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.577 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -2.08 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 37' ' ' LEU . 91.1 mt -125.63 -0.41 7.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.36 3.18 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.31 23.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 1.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -132.44 -48.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.33 -4.33 43.92 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.472 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -92.68 -53.28 4.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 1.0 110.59 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.472 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -62.67 -54.56 32.92 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.94 -51.27 24.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.302 . . . . 1.0 110.43 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.7 t -60.69 -72.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -46.66 -21.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.472 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.7 t90 -85.56 -44.07 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -66.43 -41.5 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' LYS . 38.0 t -62.54 -52.43 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -14.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.508 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.6 mtp85 -101.51 -20.68 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.607 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -94.61 -29.24 14.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.435 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 -13.91 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.505 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.54 -31.99 20.3 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -13.5 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.549 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -138.15 92.42 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -177.1 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -80.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.96 42.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.54 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.501 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tmm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -151.56 126.25 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.621 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mt-10 53.79 169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.19 -134.83 2.59 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.44 84.52 0.15 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -148.89 54.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 1.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -100.24 154.91 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.18 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.614 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.83 -88.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 p90 -41.92 129.95 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 3.5 t80 74.54 40.46 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.577 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.27 27.73 0.03 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.89 -27.57 2.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 1.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -95.35 -25.71 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.571 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -26.57 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.529 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -3.66 55.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -96.03 -48.9 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.83 -26.34 46.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -78.35 -29.72 47.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.604 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.34 -29.7 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -51.47 -38.6 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -68.23 -14.08 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -102.69 -46.63 4.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.53 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' GLY . 22.9 t90 -42.34 -52.05 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -49.69 -31.98 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ASP . 32.2 t -88.61 -49.27 6.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 m -84.54 15.17 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -126.78 37.03 2.5 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.7 -4.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 1.0 110.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.07 -33.75 0.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.752 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -74.91 -35.31 1.96 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.461 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.1 Cg_exo -61.14 -30.86 89.65 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.062 1.841 . . . . 1.0 112.027 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.64 -51.2 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.56 -56.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.186 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -52.51 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.389 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -49.89 -44.48 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.5 t -78.98 -14.58 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' THR . 38.1 t80 -80.67 -60.19 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 1.0 110.77 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -1.48 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.815 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.5 mt -122.95 -8.64 8.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.467 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 7.11 4.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -148.42 20.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 1.0 110.617 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -132.2 -47.85 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.21 -2.71 44.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' OD1' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -92.38 -50.67 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.708 0.29 . . . . 1.0 110.514 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -64.89 -47.37 83.64 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.92 -47.54 77.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 1.0 110.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.1 t -61.25 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 11.1 mt -41.71 -30.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.0 t90 -76.3 -51.27 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.45 -43.95 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.527 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -58.37 -46.78 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' NE2' ' A' ' 64' ' ' HIS . 1.8 m-85 -58.33 -14.57 7.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.92 5.51 20.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.808 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.4 -26.81 5.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 12.4 tttp -101.73 -31.47 10.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.526 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.31 -31.1 31.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -16.17 22.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 1.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.545 ' ND1' ' N ' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -70.36 -19.27 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.595 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.545 ' N ' ' ND1' ' A' ' 60' ' ' HIS . 0.1 OUTLIER -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.566 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t60 67.52 -66.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' HIS . 43.4 m80 -98.06 42.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -101.42 131.7 47.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.98 156.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.44 113.33 0.46 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.84 94.5 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -160.7 57.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 1.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.17 154.51 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.561 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -88.84 -25.92 21.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.571 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t30 41.07 -100.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.634 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -41.67 132.52 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 72.1 38.11 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 1.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.76 28.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.7 -27.1 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 1.0 110.624 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.22 -29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -52.61 -34.98 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -95.31 9.84 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.458 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' TYR . 12.3 t -104.41 -48.06 3.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -41.51 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 t -75.7 -39.21 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 mm-40 -104.73 0.54 28.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.0 t80 -63.19 -29.75 71.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 p -80.16 -12.67 59.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.39 -57.19 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.716 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.17 -35.74 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.776 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -51.74 -40.3 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -107.74 -17.97 13.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -104.03 10.28 36.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -83.11 -2.33 90.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.04 33.48 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 1.0 110.417 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.35 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.0 mm -73.63 -32.62 1.62 Allowed Pre-proline 0 CA--C 1.535 0.365 0 N-CA-C 112.046 0.388 . . . . 1.0 112.046 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.6 Cg_exo -59.52 -19.3 51.41 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.768 1.645 . . . . 1.0 111.988 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -67.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.639 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.55 -40.45 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.371 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -50.52 -49.78 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.359 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.1 mmt -61.18 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -57.76 -9.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.81 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.3 t -116.12 -12.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' TYR . 85.7 t80 -94.51 -51.55 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.524 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.95 -12.04 60.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 mt -85.81 -41.96 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.011 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -84.95 -56.16 2.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 43' ' ' THR . 99.6 m -46.02 -14.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 1.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m -108.51 -27.68 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -112.25 17.54 24.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -139.86 -45.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 1.0 110.456 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -69.41 -46.52 55.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.45 -49.17 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 1.0 110.206 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.74 -64.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.64 -29.95 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 75.2 t90 -75.55 -49.43 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.516 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.6 m -61.79 -51.75 67.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.292 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.0 t -51.11 -58.63 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.376 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -43.39 -48.57 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 2.3 mtp85 -75.24 -28.23 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.502 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.1 tptm -62.05 -58.69 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.623 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -82.43 -14.33 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.52 -30.17 41.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -6.88 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 1.0 110.638 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -142.9 38.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.63 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' CE1' ' NE2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -68.6 -176.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.548 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.476 ' NE2' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -81.15 -74.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.523 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.38 41.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.976 -1.012 . . . . 1.0 110.618 -179.936 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -66.07 153.19 42.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.47 84.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.37 -49.84 0.06 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.54 -148.15 19.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 60.45 52.27 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 1.0 110.56 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.06 39.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.19 0.519 . . . . 1.0 110.479 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -148.67 24.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.521 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 11' ' ' TYR . 81.9 m-20 -51.57 -61.43 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.7 38.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.056 0.455 . . . . 1.0 110.659 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 50.4 t80 -168.43 40.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.52 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 27.65 0.07 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.97 -35.22 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 1.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.18 -31.22 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -48.37 -25.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -85.37 -37.49 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.5 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -60.86 -53.02 62.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.525 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.2 -6.85 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 -35.35 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.3 -25.75 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -51.95 -37.84 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.582 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -21.75 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -96.03 -57.6 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.6 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -41.94 -46.94 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -54.35 -32.14 56.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t -89.92 -48.49 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -79.84 10.26 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -90.47 9.84 76.31 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.32 19.8 19.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 1.0 110.643 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.07 -31.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.15 -36.69 5.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.413 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.9 Cg_exo -60.76 -30.85 91.08 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.22 1.947 . . . . 1.0 112.082 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.86 -40.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -62.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.467 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.8 mmt -57.31 -54.76 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.499 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -47.8 -31.73 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.547 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.1 t -95.16 -10.26 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.8 t80 -88.04 -57.9 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 0.57 4.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' LEU . 92.0 mt -125.27 -26.61 3.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.395 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.01 -2.28 48.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.19 28.86 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 1.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -135.2 -50.09 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.57 -9.57 43.38 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.467 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -77.6 -47.37 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 1.0 110.537 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -68.24 -48.97 49.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.39 -47.27 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 1.0 110.379 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 50' ' ' LEU . 15.7 t -60.8 -72.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.4 mt -41.3 -27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.0 t90 -81.61 -48.94 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -66.43 -43.77 84.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.546 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.5 t -59.62 -46.77 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.791 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -55.65 -23.83 30.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.685 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.2 mtm-85 -97.94 3.59 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -23.48 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.914 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -33.28 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.173 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -30.14 45.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -12.21 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 1.0 110.634 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -139.63 79.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 2.3 t-80 -82.48 34.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 2.5 t-80 76.96 -63.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -76.57 42.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.335 -0.616 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 46.31 58.1 4.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 48.59 72.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.92 50.29 0.13 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.28 84.69 0.5 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.54 42.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER 49.07 45.88 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.622 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.67 12.23 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.553 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 5.8 p-10 -48.9 170.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.1 t80 58.59 142.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 42.01 40.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.86 31.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -128.01 -28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.604 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 -19.98 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -57.65 -21.58 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -99.99 1.83 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -98.35 -48.39 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.572 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.64 -17.85 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.2 -30.32 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.614 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -91.26 -28.3 17.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 33.0 t80 -52.21 -31.4 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 p -82.91 -12.24 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.91 -44.64 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -56.86 -48.17 78.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.595 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -55.35 -20.55 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -96.14 -48.97 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.662 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.76 32.1 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.689 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.28 12.86 3.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.06 -18.23 11.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 1.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.31 -16.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.052 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 8.2 mm -80.29 -33.93 0.79 Allowed Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.54 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.7 Cg_exo -59.98 -29.55 89.59 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.053 1.835 . . . . 1.0 112.045 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.652 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -48.77 -43.25 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.449 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -61.66 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.62 -57.92 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -33.29 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 38' ' ' VAL . 70.4 t -93.28 -12.6 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' MET . 20.8 t80 -80.62 -49.98 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -2.65 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.701 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.6 mt -125.46 0.1 7.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.487 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 7.88 4.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -149.94 18.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.714 0.292 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -128.39 -48.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.09 -7.8 32.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.674 -0.97 . . . . 1.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -104.82 -32.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 1.0 110.518 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.43 6.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.93 -48.95 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.772 0.32 . . . . 1.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.6 t -61.41 -69.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -45.83 -26.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.628 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.2 t90 -81.32 -48.48 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -65.7 -43.78 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.0 -46.8 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.96 -14.55 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.587 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.628 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.7 4.15 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -120.02 -27.77 5.28 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.831 0.348 . . . . 1.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -37.24 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.595 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.38 -30.54 36.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.629 ' HE2' ' CE1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -58.64 -21.28 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 1.0 110.607 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.629 ' CE1' ' HE2' ' A' ' 59' ' ' HIS . 10.2 m80 -95.56 -98.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -148.72 -176.93 5.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -76.47 108.4 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 t60 49.52 40.52 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.037 -0.982 . . . . 1.0 110.547 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.23 171.47 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.95 -179.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.35 -105.43 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.85 120.37 1.15 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -144.08 48.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 1.0 110.53 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.4 -166.91 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.31 27.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -41.65 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.553 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -41.92 154.54 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.511 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.516 ' O ' ' CD2' ' A' ' 11' ' ' TYR . 55.4 t80 41.71 42.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.6 -28.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -95.47 -25.45 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.304 . . . . 1.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.62 -17.72 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.09 -21.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.56 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 82.7 mt-30 -89.98 -43.32 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' TYR . 31.7 t -55.79 -45.15 78.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.0 -28.88 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -34.35 28.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.62 -5.7 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' SER . 20.7 t80 -71.34 -44.0 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.607 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -67.14 -17.92 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -97.08 -50.06 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.598 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -43.72 -46.25 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.53 -31.89 48.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -47.01 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.605 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -84.34 12.97 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.94 4.17 86.22 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 1.87 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 1.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -133.97 -0.65 3.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.8 mt -78.07 -33.3 0.96 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.809 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -58.21 -36.68 97.56 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.924 1.749 . . . . 1.0 112.08 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.48 -67.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.38 -46.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -41.34 -52.61 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.57 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -50.84 -47.34 60.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.638 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 38' ' ' VAL . 39.1 t -73.21 -9.3 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -97.71 -33.73 11.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.678 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.29 -39.49 6.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -80.47 -39.17 28.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 1.0 110.148 179.804 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -74.98 -52.99 6.49 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -64.19 2.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' GLY . 54.3 m -118.26 -33.05 4.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.575 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.52 -22.19 22.28 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -95.94 -53.1 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.81 81.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.62 -49.96 74.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 1.0 110.383 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.0 t -60.32 -69.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.3 mt -45.8 -28.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.478 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.4 t90 -77.74 -48.72 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -62.45 -47.54 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' A' ' 55' ' ' ARG . 78.5 t -58.77 -53.64 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.531 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.4 -11.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 5.6 mtp85 -108.46 -17.33 14.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.799 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -100.79 -25.49 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 1.0 110.523 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -104.54 -25.48 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.93 -28.94 53.4 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -60.63 -10.91 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -140.85 24.2 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.462 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 66.3 t-80 -149.39 161.17 42.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.413 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.523 ' C ' ' H ' ' A' ' 64' ' ' HIS . 6.8 t-80 81.89 -136.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.355 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.456 ' ND1' ' C ' ' A' ' 63' ' ' HIS . 0.4 OUTLIER -72.95 38.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 1.0 110.075 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 62' ' ' HIS . 36.2 t-80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.04 -0.981 . . . . 1.0 110.721 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.23 -173.36 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 70.35 129.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.08 84.73 0.06 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.58 34.72 0.82 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -156.77 59.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 53.24 83.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -146.59 46.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' ALA . 50.1 t-20 41.51 -108.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 99.4 m-85 -41.59 146.06 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 49.27 40.68 18.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.492 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.07 -27.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -91.8 -27.61 17.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.747 0.308 . . . . 1.0 110.481 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLN . 14.5 m-20 -108.73 -16.89 14.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -17.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' ASP . 6.7 pt20 -82.19 -30.1 31.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.8 p -78.72 -41.93 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.3 -39.2 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -32.46 73.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.0 mm-40 -91.97 -24.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.6 t80 -52.98 -39.0 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -68.45 -18.77 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.632 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -47.04 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -45.78 -54.17 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.599 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -52.56 -23.54 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.608 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.93 -50.72 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.609 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -85.85 11.28 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.84 6.72 77.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.37 1.54 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.293 . . . . 1.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -135.46 0.91 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.68 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.6 mt -77.6 -33.45 1.03 Allowed Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.768 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.3 Cg_exo -57.74 -48.72 15.61 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.93 1.753 . . . . 1.0 112.093 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.63 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.99 -54.54 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.211 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -41.99 -63.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -64.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.803 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.32 -25.26 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.009 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.2 t -105.99 7.76 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.88 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.8 t80 -115.12 -22.92 9.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.02 1.27 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.69 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.32 -62.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.368 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.05 9.64 58.11 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.997 -0.62 . . . . 1.0 112.06 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 29.7 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.944 0.402 . . . . 1.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -135.2 -48.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.256 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.11 -0.15 38.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -102.25 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 1.0 110.633 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.13 67.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.77 -51.18 71.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -59.77 -68.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 49' ' ' VAL . 81.7 mt -45.59 -27.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.2 t90 -79.98 -48.19 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.644 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -65.07 -39.8 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.66 -46.09 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -14.38 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.96 3.51 18.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.96 -27.45 5.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.317 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -101.67 -33.08 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.15 -30.11 38.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -14.69 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 1.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -137.82 94.1 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -71.75 -150.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.558 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -80.86 -80.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.522 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -97.74 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 mtt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' GLU . 9.8 mm-40 -101.27 140.57 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.597 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLU . 5.9 mt-10 43.98 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.545 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.45 -71.02 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.69 178.26 51.32 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -144.51 41.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.614 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -59.78 105.42 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -146.14 -42.53 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.584 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' C ' ' H ' ' A' ' 11' ' ' TYR . 59.5 t-20 49.45 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.056 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 8' ' ' ASP . 50.9 t80 -70.06 38.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.504 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.9 t80 -172.98 38.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.145 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.92 28.82 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.71 -29.95 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 27.1 p30 -92.05 -24.49 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.536 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 33.0 m-20 -56.49 -21.24 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -88.63 -28.67 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.545 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 83.6 p -71.86 -55.12 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.94 -24.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 m -84.37 -32.06 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.5 mm-40 -89.17 -17.49 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.36 -43.6 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.558 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.532 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 t -69.05 -16.85 63.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -102.92 -42.57 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.3 t90 -46.97 -44.23 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -49.31 -40.17 33.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.428 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.562 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.19 4.12 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.43 -8.85 80.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.53 43.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 1.0 110.314 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -172.6 -28.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.615 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.3 mt -72.97 -33.63 2.11 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.6 Cg_exo -59.33 -30.76 93.64 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.91 1.74 . . . . 1.0 112.017 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.75 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.25 -40.01 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -61.61 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.507 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -61.36 -54.42 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -47.38 -29.92 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.528 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.07 -24.63 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.7 t80 -75.47 -58.77 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.634 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.07 0.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 mt -97.74 -59.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.65 9.99 66.55 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.28 32.37 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 1.0 110.54 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -136.1 -52.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.37 -12.46 41.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.48 ' ND2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -76.99 -53.62 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.848 0.356 . . . . 1.0 110.589 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.463 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -61.1 -53.9 41.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 tp -49.65 -50.6 42.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 17.7 t -60.91 -73.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.495 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -44.35 -25.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.3 t90 -80.98 -46.66 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.12 -40.9 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.446 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.25 -42.22 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -14.45 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -109.99 -13.71 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.757 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -29.24 12.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.823 0.344 . . . . 1.0 110.32 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -101.56 -25.72 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.96 -30.08 44.25 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -59.89 -59.62 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.853 0.359 . . . . 1.0 110.554 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' HIS . 52.1 m-70 -53.1 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.566 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 61.16 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' HIS . 50.1 p-80 -64.24 117.44 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.634 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 23.7 t-80 46.98 37.71 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.203 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' ND1' ' OXT' ' A' ' 64' ' ' HIS . 32.7 p80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.439 -0.578 . . . . 1.0 109.439 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.99 103.4 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -178.63 -177.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.82 132.21 7.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.61 -124.18 4.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 4.6 p30 -151.19 57.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 1.0 110.593 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 9' ' ' ASN . 1.5 m-85 -48.2 176.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.632 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.34 0.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' TYR . 8.3 t-20 -56.16 -33.75 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.564 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CG ' ' OD2' ' A' ' 14' ' ' ASP . 22.0 t80 -63.23 70.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ASN . 7.2 t80 41.3 41.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.72 59.41 3.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.59 -35.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 10' ' ' TYR . 83.3 m-20 -75.82 -35.71 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -28.88 64.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -96.91 -12.06 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -89.06 -46.24 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.86 -20.6 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -34.42 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.32 -18.41 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 25.0 t80 -58.09 -37.07 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -72.25 -12.56 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -47.03 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -47.46 -49.8 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -47.82 -32.03 5.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -91.18 -45.98 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -76.73 4.56 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.585 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.95 -7.87 80.12 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.7 43.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 1.0 110.241 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp -172.32 -28.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.9 mt -72.68 -34.14 2.45 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.884 0.327 . . . . 1.0 111.884 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.0 Cg_exo -58.37 -29.35 87.95 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.945 1.763 . . . . 1.0 111.992 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.27 -41.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.5 mmt -60.39 -55.41 33.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.557 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.17 -29.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.7 t -96.85 -13.64 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.7 t80 -82.38 -55.63 4.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -2.81 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 37' ' ' LEU . 89.2 mt -124.63 -5.01 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.47 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.25 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -152.55 26.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.95 -46.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.05 5.26 10.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.0 m120 -103.39 -50.53 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 1.0 110.568 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.45 -47.05 72.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.53 -48.39 74.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.0 t -60.35 -71.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.531 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 49' ' ' VAL . 7.6 mt -41.5 -29.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 76.7 t90 -79.0 -50.83 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -59.42 -44.78 92.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 t -57.57 -51.72 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -25.62 10.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.525 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -91.93 -15.51 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -101.07 -20.84 15.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -11.44 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.294 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.72 -33.83 23.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' HIS . 6.1 p-80 -42.94 -33.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 1.0 110.325 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' HIS . 9.5 t-80 -66.88 -123.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.67 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.583 ' ND1' ' CE1' ' A' ' 60' ' ' HIS . 32.7 m170 -99.49 -165.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 57.0 m80 -85.71 127.54 34.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 31.1 p80 42.03 38.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.243 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.642 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.77 163.08 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -172.57 93.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.21 67.28 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.89 -169.08 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t0 62.99 55.01 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 1.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -73.84 47.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.95 8.22 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.559 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 2.5 m-80 -52.78 171.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.524 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 t80 52.8 109.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.918 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.8 t80 79.74 40.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.524 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.37 25.42 0.05 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -128.3 -26.91 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 1.0 110.539 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -91.29 -31.61 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -52.69 -28.39 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.567 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -91.51 -17.36 25.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -88.18 -39.65 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -48.38 -22.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.69 -33.93 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -92.08 -28.88 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.542 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -51.74 -30.12 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.4 p -81.74 -14.65 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.8 -53.52 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -40.16 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -57.38 -28.74 63.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 m -99.23 -33.82 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -90.67 12.77 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.54 8.48 79.74 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 21.27 17.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.688 0.28 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -137.56 -30.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.18 -36.71 5.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.489 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.64 -42.08 42.34 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.14 1.893 . . . . 1.0 112.0 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.32 -63.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.69 -53.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.209 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -44.53 -52.15 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.414 179.795 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.85 -61.7 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.606 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.49 -5.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.6 t -121.25 -6.48 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.632 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' TYR . 79.2 t80 -106.33 -17.19 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.796 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -117.47 -16.03 10.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.88 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.842 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -113.46 -42.92 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.874 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.49 -0.41 82.19 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -135.34 23.01 3.46 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.777 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 16.8 m -130.68 -48.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.337 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.98 -4.04 41.98 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -100.72 -57.74 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.64 -43.71 59.58 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 1.0 110.264 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.5 t -60.46 -67.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 78.3 mt -45.91 -28.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -78.99 -48.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.8 m -62.79 -43.86 97.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . 70.0 t -64.4 -50.11 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.53 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.1 m-85 -49.3 -12.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.494 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 53' ' ' VAL . 7.3 mtp85 -103.95 -21.81 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 ptmm? -94.5 -29.38 14.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -100.78 -13.47 18.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.72 -32.56 24.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -13.03 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 1.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -138.43 90.28 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.83 -123.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -98.62 -72.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -89.44 53.96 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.564 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.62 159.96 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 4' ' ' GLY . 18.3 tt0 -53.13 161.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 3' ' ' GLU . . . -138.6 -86.69 0.16 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.11 106.3 2.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.478 ' OD2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER 178.36 61.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 1.0 110.577 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -48.12 138.23 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.497 ' C ' ' ND2' ' A' ' 9' ' ' ASN . 0.8 OUTLIER -82.31 -37.25 26.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.497 ' ND2' ' C ' ' A' ' 8' ' ' ASP . 2.4 p30 37.94 -122.55 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.062 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.1 t80 -38.82 125.57 1.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.705 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 3.1 t80 79.19 37.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.42 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.55 -23.96 0.06 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.159 -0.776 . . . . 1.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.23 -20.6 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 1.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -101.5 -20.22 15.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.508 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.99 -32.74 73.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -101.49 3.03 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' TYR . 3.4 p -101.81 -37.4 8.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.78 -26.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 t -92.06 -28.82 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' A' ' 24' ' ' TRP . 32.8 tt0 -91.62 -9.52 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.23 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.5 t80 -47.04 -35.65 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 p -74.49 -21.61 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.978 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.73 -57.22 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.115 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.35 -40.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.197 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 27.5 tttt -45.48 -38.72 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 1.0 110.574 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.6 t -109.11 -37.23 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 25.3 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.711 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -125.4 28.63 4.99 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.724 -0.95 . . . . 1.0 110.724 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.34 15.32 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.722 0.296 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.85 -36.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -74.06 -35.15 2.26 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.773 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.5 Cg_exo -56.41 -19.9 30.66 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.014 1.809 . . . . 1.0 112.092 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.93 -70.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.07 -46.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -42.43 -56.09 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.003 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.6 mmt -55.19 -58.31 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.215 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.1 tp -47.65 -41.55 22.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.31 -22.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.031 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' TYR . 28.3 t80 -78.25 -59.49 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 1.0 110.704 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.2 0.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.6 mt -95.33 -74.01 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.3 13.66 64.52 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.451 -0.659 . . . . 1.0 111.451 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.7 26.64 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 1.0 110.571 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -129.44 -50.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.2 2.62 29.78 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -118.82 -66.24 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.851 0.357 . . . . 1.0 110.523 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -59.68 -51.27 60.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp -49.96 -46.94 52.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.678 0.275 . . . . 1.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.47 -61.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.34 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.51 -23.3 57.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.6 t90 -84.04 -40.02 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -74.5 -49.0 23.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -56.09 -35.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.517 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.78 -15.06 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.545 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 1.5 mtp85 -106.22 6.07 30.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.717 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -24.81 8.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.317 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -100.48 -30.66 11.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.48 -36.55 7.98 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -63.71 -31.58 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 1.0 110.542 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -67.2 -108.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.529 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 1.3 t60 -162.33 -90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.568 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.436 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 1.6 m-70 -140.71 -31.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.586 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 43.9 m80 -128.92 42.41 3.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.597 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.595 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -100.49 139.02 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.81 171.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.46 119.93 0.91 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.72 -76.92 0.81 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -156.84 60.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 1.0 110.583 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 50.98 57.63 6.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -155.97 32.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -52.64 -80.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.567 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.68 141.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 t80 58.18 41.74 23.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.87 -29.91 0.07 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -99.98 -23.13 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.528 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -109.4 -14.11 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.11 -21.82 48.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.91 -12.62 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 19' ' ' CYS . 17.6 p -95.18 -39.87 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.64 -5.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.3 t -100.94 -39.6 7.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.94 -13.97 37.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' C ' ' H ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -69.41 -42.14 75.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.11 13.06 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 21' ' ' TYR . 31.9 m-20 -137.15 -35.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.542 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.93 -35.65 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.543 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -52.65 -36.62 57.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -43.5 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.563 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 m -87.31 21.13 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.44 -4.39 87.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.16 31.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 1.0 110.564 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.96 -34.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 mt -56.64 -59.88 10.95 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.225 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 9.9 Cg_endo -53.07 -51.57 10.77 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.896 1.731 . . . . 1.0 112.099 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.9 -67.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.74 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.19 -45.82 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -52.31 -61.31 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.52 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.38 -59.09 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.586 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 tp -48.18 -27.86 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.03 -19.02 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' A' ' 41' ' ' LEU . 15.5 t80 -83.37 -56.88 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -65.54 0.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -98.32 -60.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.79 3.9 83.27 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 36.69 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 50.9 m -136.32 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 -23.38 10.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.47 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 1.0 110.502 179.883 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -68.68 -51.15 31.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.24 -43.86 83.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 1.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 t -59.83 -60.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.318 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.73 -27.03 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.9 t90 -79.3 -48.2 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.672 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.16 -42.4 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' LYS . 59.0 t -59.9 -43.19 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -35.64 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.631 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.0 mtm-85 -84.42 -6.74 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.671 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -18.15 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 1.0 109.904 179.601 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.7 OUTLIER -108.31 -34.29 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -76.63 -25.36 65.37 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -59.18 -19.05 41.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -79.52 35.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.462 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 81.2 m-70 -56.12 -110.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.509 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -102.31 -69.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.495 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 6.5 p80 -90.32 60.48 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.582 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -138.44 62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.597 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 62.09 -171.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.67 -124.99 1.62 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.86 -51.26 0.77 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.81 67.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 1.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -51.33 170.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 10' ' ' TYR . 62.0 m-20 -84.2 8.8 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' OD1' ' CB ' ' A' ' 13' ' ' ALA . 39.3 t-20 41.36 -93.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' ASP . 4.0 m-85 -41.89 154.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.509 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 42.98 39.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.472 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.29 27.18 0.02 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' A' ' 9' ' ' ASN . . . -127.99 -27.96 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 1.0 110.547 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.31 -28.02 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -27.21 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 6.5 pt20 -95.52 -16.19 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -79.19 -39.79 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -45.6 -39.33 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.51 -30.41 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.539 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 5.5 mp0 -90.76 -26.16 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.525 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -59.29 -25.27 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -88.85 -49.07 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.1 t90 -41.66 -57.26 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 15.0 tttp -47.3 -28.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -90.41 -49.04 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.3 3.29 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.64 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.1 -7.55 80.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.59 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 1.0 110.296 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp -171.14 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.009 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.1 mt -72.38 -34.14 2.6 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.0 Cg_exo -58.94 -29.1 89.54 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.938 1.759 . . . . 1.0 111.989 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -67.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.92 -40.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.57 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -58.39 -55.64 32.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -46.92 -33.11 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.1 t -93.06 -12.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' MET . 11.3 t80 -82.31 -53.7 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -0.93 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.725 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.447 HD12 ' O ' ' A' ' 37' ' ' LEU . 92.2 mt -126.07 -4.36 6.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.447 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.82 6.76 6.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 11.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 1.0 110.646 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -122.12 -34.73 3.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.55 23.93 4.2 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -135.87 -44.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 1.0 110.485 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.98 37.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.79 -50.83 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 1.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' LEU . 21.0 t -58.73 -68.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 mt -44.28 -29.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.515 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -79.79 -45.14 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.3 m -66.38 -45.86 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.67 -46.15 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -18.67 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.506 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -96.29 -10.06 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 -28.61 10.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.301 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -23.0 22.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.49 -28.27 57.86 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -27.02 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 61.9 m80 -101.95 -70.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' CG ' ' HD1' ' A' ' 62' ' ' HIS . 9.2 t-80 78.37 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.149 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.713 ' HD1' ' H ' ' A' ' 62' ' ' HIS . 8.0 p-80 -60.57 -99.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.446 -179.282 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.705 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 71.8 t60 -73.0 40.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 1.0 110.267 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 18.6 p80 . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.671 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' MET . 33.8 mt-10 42.42 -164.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 60.53 161.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.517 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 -94.92 0.22 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.71 -72.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.65 43.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 1.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -101.44 -177.1 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.545 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 44.71 31.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -41.54 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -43.04 155.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.6 t80 42.72 40.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.99 28.11 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.77 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.816 0.341 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 30.6 p30 -95.5 -27.6 15.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 3.2 m-80 -51.6 -26.95 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.8 pt20 -92.58 -38.16 12.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 21' ' ' TYR . 7.0 p -61.26 -39.11 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 8.8 mt-10 -41.38 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -41.07 -26.92 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.576 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -86.38 -35.28 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' GLU . 22.0 t80 -51.58 -31.91 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.577 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -77.73 -18.3 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 -54.99 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -47.99 5.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -48.8 -32.13 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.665 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -94.56 -42.43 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -76.0 5.62 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.6 -9.87 77.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.44 43.3 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 1.0 110.332 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -173.14 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 20.9 mt -71.82 -33.97 2.8 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 111.814 0.301 . . . . 1.0 111.814 -179.766 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.5 Cg_exo -60.47 -48.35 11.64 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.937 1.758 . . . . 1.0 112.052 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.62 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.554 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.97 -54.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.243 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -42.28 -64.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.253 179.723 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -64.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -52.3 -25.65 10.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.929 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.7 t -106.13 7.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.035 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.4 t80 -113.93 -25.24 8.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -102.99 1.93 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.4 mt -101.64 -61.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.439 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.85 7.35 57.38 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 121.047 -0.597 . . . . 1.0 112.034 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 28.46 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -136.52 -46.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.55 -6.11 53.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -87.46 -48.98 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.33 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -65.62 -51.82 44.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -51.64 -51.2 57.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.8 t -59.93 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -43.69 -29.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -76.84 -47.37 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.6 m -61.92 -52.12 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.462 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' LYS . 7.1 t -51.77 -52.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.0 -30.84 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 1.0 110.244 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.665 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -80.78 -18.43 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.258 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -102.96 -18.07 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.437 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -108.71 -13.09 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.03 -31.57 25.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -58.33 -12.39 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 1.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -139.38 84.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 9.0 t60 -98.83 -82.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 8.8 t60 -145.97 104.09 3.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.604 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 11.7 t60 49.47 40.23 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 54.7 t-80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.71 146.66 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -172.88 145.63 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.67 -125.16 0.4 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.1 153.72 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -148.2 42.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 1.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 9' ' ' ASN . 97.4 m-85 -151.24 74.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.57 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p30 41.52 22.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.586 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' PHE . 32.2 m120 -58.89 172.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.525 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 61.3 t80 41.18 31.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.46 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -174.35 39.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.353 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.14 29.51 0.05 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.27 -28.06 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 1.0 110.574 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.26 -23.73 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -58.55 -29.27 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -103.08 24.04 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -128.6 -39.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -55.47 -20.7 13.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.607 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.5 m -86.08 -31.93 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -92.0 -19.71 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -50.63 -33.26 21.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -79.75 -15.21 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -54.83 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.21 -45.16 5.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.721 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -47.47 -33.09 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -99.34 -43.21 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -94.34 31.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.538 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.64 23.78 4.44 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.75 13.21 5.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 1.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.97 -36.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.7 mt -76.68 -35.02 1.4 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.799 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.0 Cg_endo -79.77 -20.95 8.77 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.084 1.856 . . . . 1.0 112.135 -179.33 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.04 -61.74 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.446 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.22 -48.25 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.301 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.64 -46.05 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.094 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.457 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -70.96 -58.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.539 179.688 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 tp -47.39 -36.28 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 t -82.38 -31.06 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.993 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.1 t80 -70.39 -60.02 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.818 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.87 0.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.709 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -94.25 -69.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.48 7.97 80.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -129.49 34.53 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 1.0 110.541 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 m -137.33 -51.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.405 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.48 -11.13 39.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.565 ' ND2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.98 -54.5 5.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 1.0 110.533 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -58.01 -49.22 77.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 tp -54.86 -51.65 65.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 1.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.7 t -58.97 -70.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.481 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.565 HD12 ' ND2' ' A' ' 46' ' ' ASN . 88.1 mt -45.36 -29.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 77.4 t90 -78.49 -44.17 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -69.47 -55.5 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.261 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -48.41 -48.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.353 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -53.86 -53.7 48.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.31 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.611 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 3.8 mtp85 -68.06 -20.3 64.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.163 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -76.14 -53.25 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.382 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.94 -18.92 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.88 -31.03 45.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -49.63 -35.18 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 1.0 110.621 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 33.9 t-80 -69.5 -118.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.551 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.544 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 2.6 t60 -160.3 -31.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 26.8 t-80 -170.24 141.98 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.561 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.531 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 33.9 p80 41.91 38.2 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.088 0.471 . . . . 1.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 54.9 p-80 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -90.73 85.28 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.584 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -48.08 151.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 114.38 0.61 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.13 -103.3 0.4 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.58 42.76 31.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 1.0 110.547 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -100.68 118.05 36.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.642 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.02 14.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' TYR . 9.2 m120 -53.07 163.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.4 t80 58.67 140.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.947 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 t80 41.8 40.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.7 -30.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.09 -22.1 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.325 . . . . 1.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -109.07 -16.1 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -24.78 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -79.92 -23.29 41.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.631 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -82.51 -53.12 6.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.604 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.7 m -74.36 -33.37 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' SER . 9.2 mt-10 -96.85 -13.72 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -56.12 -33.69 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -74.96 -16.56 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -50.02 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -43.61 -52.23 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.537 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -47.14 -27.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -45.84 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 m -82.94 13.27 4.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -87.12 -8.07 76.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 1.0 110.183 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -172.26 -28.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.047 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 9.5 mt -70.19 -35.47 5.04 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.635 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.66 -23.36 71.22 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.914 1.743 . . . . 1.0 111.976 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -67.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.68 -28.4 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.395 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -69.6 -48.58 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.551 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -48.76 -62.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.64 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.8 tp -50.4 -40.52 50.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.343 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.9 t -80.52 -5.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.637 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -100.91 -29.73 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.729 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -97.08 -16.74 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.997 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -107.08 -29.62 9.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.833 0.349 . . . . 1.0 110.284 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.34 -1.64 60.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.98 26.49 3.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 1.0 110.772 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -133.18 -48.74 0.85 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.47 -2.52 43.99 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -94.46 -51.78 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.662 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.23 -45.92 94.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.77 -47.6 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.324 . . . . 1.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.5 t -61.39 -70.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.75 -31.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.533 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.4 t90 -75.29 -50.92 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -63.52 -40.65 97.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.2 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.682 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -14.73 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.6 5.83 21.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.89 -28.41 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.33 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -100.93 -32.23 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.93 -30.48 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -15.03 24.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 1.0 110.568 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -138.04 94.37 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.602 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' HIS . 12.9 m170 -80.62 17.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.5 m80 55.41 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 61' ' ' HIS . 2.9 m-70 -88.14 41.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.0 m80 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.563 179.964 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.09 -177.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -172.76 45.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.526 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.99 111.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.81 -113.77 1.6 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 18.4 p-10 -151.01 58.08 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 1.0 110.623 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 9' ' ' ASN . 49.6 m-85 -73.89 -162.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.22 10.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.607 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' TYR . 2.6 m120 -44.59 -68.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -70.96 39.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' ASN . 7.4 t80 -164.46 41.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.87 26.97 0.02 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.38 -26.44 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 1.0 110.685 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 20.0 p-10 -93.04 -32.86 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 6.8 t-20 -47.02 -31.89 3.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -85.54 -35.38 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' TYR . 9.5 p -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.3 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.612 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.0 m -51.56 -29.42 17.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.645 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 3.9 tt0 -99.45 19.0 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' SER . 47.6 t80 -86.77 -39.4 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.376 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -68.75 -12.96 62.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.75 -47.88 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.34 -46.24 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.926 -179.688 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.6 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 17.9 ttpt -45.94 -35.8 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.626 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -100.88 -42.43 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.769 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 p -96.44 32.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.584 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.52 28.74 2.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.78 9.65 3.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 1.0 110.606 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.4 -35.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.762 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -74.27 -35.77 2.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.769 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.4 Cg_exo -55.33 -24.59 43.39 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.062 1.841 . . . . 1.0 112.254 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.89 -66.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.617 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -40.12 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.155 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -50.9 -56.24 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.688 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 mmt -46.09 -61.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.654 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.83 -31.06 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.0 t -96.82 -6.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.498 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 43' ' ' THR . 16.9 t80 -90.62 -59.0 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -5.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.752 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.1 mt -123.6 -5.98 8.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.545 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -138.75 17.29 3.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 -179.676 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 43' ' ' THR . 88.1 m -158.26 19.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.593 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.3 -49.24 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.085 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.56 -2.21 30.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.562 -1.015 . . . . 1.0 110.562 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.477 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.1 OUTLIER -103.55 -54.04 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 1.0 110.512 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.477 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -64.66 -57.56 12.3 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -45.69 -48.3 15.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.675 0.274 . . . . 1.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.6 t -62.67 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.2 mt -53.79 -21.41 7.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.507 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLY . 77.2 t90 -83.99 -43.78 14.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.462 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -70.3 -49.55 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.66 -43.6 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.73 -16.19 37.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -104.69 -5.82 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.714 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -27.17 10.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.446 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -102.65 -29.23 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.599 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.26 -29.06 34.6 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -57.67 -47.08 83.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' A' ' 62' ' ' HIS . 64.0 m-70 -84.15 -98.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 56.32 -78.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.038 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 60' ' ' HIS . 1.4 m-70 -101.99 136.37 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.735 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.482 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 8.3 t-80 46.99 38.19 5.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.326 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 46.8 p-80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.005 -0.997 . . . . 1.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.41 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' H ' ' CG ' ' A' ' 1' ' ' MET . 5.6 mt-10 -74.13 136.82 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -173.1 99.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.37 -41.27 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.04 30.74 9.79 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.28 42.09 32.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 1.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 t80 49.29 53.81 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ASN . 45.2 t0 -155.36 52.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER 49.41 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.16 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.36 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' ASN . 47.5 m-85 44.09 39.96 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.17 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 49.58 8.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.7 -29.24 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.57 -27.94 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.529 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -53.99 -24.47 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.572 179.991 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -101.31 -15.96 17.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.615 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' TYR . 6.9 t -83.04 -38.02 23.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' TYR . 56.1 mt-10 -56.03 -67.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.502 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -42.27 -29.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.0 -27.43 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.3 t80 -50.91 -30.03 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -81.89 -16.8 49.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -98.53 -54.12 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.575 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -44.49 -42.69 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.615 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -48.85 -31.58 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -102.08 -42.6 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.66 30.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -129.24 25.01 4.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.32 17.34 3.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.666 0.27 . . . . 1.0 110.547 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.21 -36.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -72.67 -35.41 3.04 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.521 179.839 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.5 Cg_exo -59.92 -28.47 87.22 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.045 1.83 . . . . 1.0 112.039 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.89 -69.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.74 -43.01 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.098 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -56.82 -63.27 1.26 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.383 179.82 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -43.88 -57.8 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.536 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 tp -49.52 -43.69 45.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 38' ' ' VAL . 97.3 t -86.09 0.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.819 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.6 t80 -98.45 -32.36 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.423 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.8 -25.58 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -105.57 -30.46 9.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.44 -0.2 79.89 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.97 17.85 3.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.614 0.245 . . . . 1.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.5 m -129.07 -44.14 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.572 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.33 -1.44 47.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -99.2 -48.29 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 1.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.87 -51.29 35.67 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.39 -49.04 62.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.308 . . . . 1.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.0 t -59.7 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.495 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.91 -31.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -77.05 -50.9 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 29.5 t -61.91 -51.63 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -50.07 -10.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.2 mtp85 -107.79 -18.43 13.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.797 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.14 -27.65 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.394 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -102.62 -26.09 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.19 -29.3 50.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -13.11 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 1.0 110.624 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.514 ' CE1' ' HA ' ' A' ' 62' ' ' HIS . 2.9 t60 -139.48 94.47 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.512 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 33.2 p80 -89.87 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.514 ' HA ' ' CE1' ' A' ' 60' ' ' HIS . 2.8 m80 69.69 130.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.578 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 51.35 56.88 7.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.607 -179.676 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 1.5 pm0 -138.16 41.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.48 73.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . 78.62 76.2 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.8 30.58 1.01 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -156.02 56.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.631 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.15 115.12 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -136.25 33.01 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.506 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 10' ' ' TYR . 95.0 m-20 -56.12 -169.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' ASN . 3.4 t80 52.02 105.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.818 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 t80 61.03 59.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.53 -23.94 0.12 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 -22.87 12.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 1.0 110.323 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -103.3 -17.38 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.225 179.801 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.06 -29.29 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.511 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 9.43 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' TYR . 21.0 p -122.49 -52.37 1.93 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.516 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.07 -25.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.523 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t -85.6 -34.95 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.695 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' TRP . 3.3 mm-40 -94.09 -2.93 52.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.239 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' SER . 30.9 t80 -48.15 -30.75 4.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.75 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.6 p -78.57 -22.36 47.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.661 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -101.83 -57.64 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.77 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -39.95 -42.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.835 -179.867 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 10.7 ttpt -49.91 -37.61 32.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.7 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 74.2 m -98.26 -42.27 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -102.92 48.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.6 3.63 3.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.72 34.05 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 1.0 110.316 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -172.99 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.033 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.4 mm -73.96 -32.89 1.6 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.707 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.66 -21.36 69.04 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.766 1.644 . . . . 1.0 112.038 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -69.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 mt -57.81 -47.66 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.144 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -55.84 3.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.13 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -63.16 -51.14 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.371 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.8 tp -49.74 -39.82 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.383 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.6 -20.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.956 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -77.67 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.761 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.03 -9.08 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -81.64 -59.01 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -68.82 -55.0 12.02 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 43' ' ' THR . 12.9 m -47.79 -12.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.669 -0.312 . . . . 1.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.3 m -109.69 -26.61 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -114.96 17.01 17.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.542 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.1 OUTLIER -139.86 -46.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.35 -179.926 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.437 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -67.86 -50.84 38.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.22 -52.62 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 1.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.0 t -60.52 -68.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.468 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.1 mt -49.53 -24.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLY . 74.7 t90 -79.81 -41.02 27.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.457 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -69.36 -49.5 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.42 -45.71 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.488 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -21.57 15.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 7.3 mtp85 -96.96 -5.35 38.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.695 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 -19.84 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -23.36 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.385 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.93 -27.86 59.75 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -18.21 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 1.0 110.538 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -96.93 59.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -137.27 27.73 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 66.55 105.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 9.5 t60 49.53 40.92 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.375 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 44.0 p-80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.619 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 44' ' ' THR . 9.0 ttt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.75 67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -115.44 144.62 43.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.79 133.08 1.77 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' O ' ' OD1' ' A' ' 6' ' ' ASP . . . -50.85 -71.29 0.66 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 5' ' ' GLY . 1.9 p-10 42.02 36.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.157 0.503 . . . . 1.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 16.7 p90 -87.1 127.17 35.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.605 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -159.67 -47.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.512 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.702 ' ND2' ' H ' ' A' ' 10' ' ' TYR . 3.7 p-10 33.56 -89.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.568 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.702 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 24.1 p90 -40.25 136.81 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.757 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.6 t80 48.16 41.15 15.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 6.31 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -123.97 -22.68 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.761 0.315 . . . . 1.0 110.438 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.01 -16.01 16.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.21 -27.82 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.71 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -92.04 -32.03 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' TYR . 37.1 m -80.16 -36.38 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' TYR . 5.4 mt-10 -41.61 -71.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -43.05 -36.33 1.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.73 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.34 34.73 3.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.773 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.9 t80 -98.49 -44.39 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.311 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -66.43 -11.35 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.93 -52.3 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.589 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -40.68 -42.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.783 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -46.84 -37.4 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -13.95 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' ASP . 19.9 m -111.21 20.21 17.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.9 -10.3 75.89 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.72 41.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.0 110.323 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -174.11 -28.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.952 -179.834 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.1 mt -71.62 -34.38 3.11 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.865 0.321 . . . . 1.0 111.865 -179.722 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.3 Cg_exo -58.95 -44.2 37.24 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.868 1.712 . . . . 1.0 111.938 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mm -52.09 -52.86 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.366 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -41.69 -55.24 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.26 179.885 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.44 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -53.29 -65.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.695 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.96 -179.573 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.5 t -116.07 8.62 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' TYR . 75.7 t80 -122.7 -16.83 7.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.014 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.64 0.48 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.692 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.13 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.98 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.96 4.53 65.59 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.104 -0.57 . . . . 1.0 111.689 -179.299 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.31 31.53 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.844 0.354 . . . . 1.0 110.64 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.6 m -131.84 -42.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.24 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.0 17.59 5.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -123.37 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.344 . . . . 1.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.72 -49.41 76.52 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 tp -49.98 -51.71 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.8 t -59.2 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.4 mt -46.83 -27.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -78.77 -45.38 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' LYS . 15.5 m -66.66 -51.54 54.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -53.69 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.42 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -49.06 -46.17 44.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.462 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -77.04 -26.78 54.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.494 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.6 tptm -63.27 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -84.33 -13.55 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.23 -30.45 37.5 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -17.17 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 1.0 110.588 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -89.8 -116.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -154.88 -66.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.558 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.61 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 33.6 p-80 -162.76 -59.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.61 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 54.8 t-80 -101.82 42.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.54 179.985 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -96.61 -169.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.619 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.52 171.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.65 73.45 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.35 -172.54 15.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -160.35 54.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 1.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.78 112.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.9 -35.12 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 42.53 -158.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.1 t80 48.33 -152.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.646 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -59.44 74.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.578 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -178.24 -30.59 0.05 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.51 -1.036 . . . . 1.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.18 -22.12 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 1.0 110.355 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -107.11 -17.75 14.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.84 -27.33 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -87.11 -5.99 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 52.7 p -91.55 -60.13 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.598 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OG ' ' A' ' 17' ' ' SER . 8.5 mt-10 -45.62 -52.44 10.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -54.81 -30.08 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -91.77 -11.72 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.16 -61.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 p -53.69 -16.47 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -48.03 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.29 -48.74 9.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.568 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -48.01 -28.78 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.57 -41.22 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 m -78.27 6.05 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -88.45 3.82 85.25 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.75 37.5 2.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 1.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.5 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -75.38 -32.54 1.24 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.809 -179.848 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.6 Cg_exo -59.03 -37.47 92.91 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.819 1.68 . . . . 1.0 112.049 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.61 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.93 -55.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -49.22 4.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.35 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.0 mmt -69.34 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.605 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HA ' HD21 ' A' ' 40' ' ' LEU . 1.4 tp -46.94 -14.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.707 -179.868 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' MET . 24.1 t -104.38 -21.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.678 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' MET . 71.6 t80 -95.64 -12.21 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.778 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -103.9 -6.18 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 1.0 110.203 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.7 -46.47 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.47 2.82 59.23 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.1 -0.572 . . . . 1.0 111.711 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -131.5 27.2 4.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 1.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 36.1 m -131.16 -48.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.11 -5.86 32.46 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.69 -56.23 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 1.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.63 -45.44 93.26 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.53 -48.57 78.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 1.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.78 -70.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.485 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.7 mt -42.59 -30.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.3 t90 -76.07 -50.64 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.87 -41.6 97.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.476 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.38 -45.68 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.696 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -14.7 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.619 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.67 5.52 21.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -27.16 5.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.324 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -34.71 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.07 39.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -57.31 -21.98 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.0 110.573 -179.996 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.464 ' ND1' ' NE2' ' A' ' 61' ' ' HIS . 12.4 t-80 -46.53 -42.09 15.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.464 ' NE2' ' ND1' ' A' ' 60' ' ' HIS . 24.8 m80 -139.35 -160.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' N ' ' ND1' ' A' ' 62' ' ' HIS . 0.8 OUTLIER -97.28 -60.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.558 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 26.1 p80 -101.03 41.62 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 m170 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.502 179.944 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.387 -0.597 . . . . 1.0 109.387 . . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.6 mp0 -98.96 142.99 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.37 165.88 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.68 137.77 9.95 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.14 168.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -162.72 55.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 1.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -85.18 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.27 43.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.594 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.608 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 2.6 p-10 -51.06 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 58.46 128.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.992 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 51.12 40.2 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.284 0.564 . . . . 1.0 110.266 -179.861 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 25.38 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -127.68 -27.81 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 1.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.6 -24.41 17.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -25.44 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -91.69 -26.05 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -50.56 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -48.33 -27.63 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -92.49 -17.06 25.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 28.2 t80 -69.23 -48.22 62.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.514 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -59.61 -15.22 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -47.87 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.7 t90 -44.68 -41.85 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -49.97 -36.09 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -43.89 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -69.83 -11.08 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.602 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -82.74 5.63 73.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.95 -3.87 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 1.0 110.617 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -131.37 -4.04 3.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.2 mt -79.78 -33.31 0.79 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.717 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.8 Cg_exo -58.06 -27.57 80.14 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.945 1.763 . . . . 1.0 111.986 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.49 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.549 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.6 -42.98 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -57.75 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.552 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.78 -26.66 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.32 -21.6 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.601 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' THR . 28.5 t80 -79.85 -58.07 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.38 1.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.46 -65.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.91 11.78 71.34 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.106 -0.798 . . . . 1.0 111.106 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.82 31.71 3.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.833 0.349 . . . . 1.0 110.553 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -135.07 -50.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.427 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.97 -12.44 31.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.551 ' ND2' HD12 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -79.73 -54.15 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 1.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.467 ' N ' ' OD1' ' A' ' 46' ' ' ASN . . . -58.69 -47.31 90.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.28 -45.32 91.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.734 0.302 . . . . 1.0 110.413 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -64.17 -69.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.458 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.551 HD12 ' ND2' ' A' ' 46' ' ' ASN . 97.1 mt -41.73 -33.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.264 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 79.7 t90 -70.61 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.794 179.545 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -53.45 -50.77 64.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.367 179.522 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.51 -45.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -31.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 1.1 mmt180 -91.63 -30.39 16.37 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.223 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -59.3 -57.87 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -81.93 -25.05 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.83 -25.83 72.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -50.84 -26.78 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 1.0 110.514 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -58.09 -21.12 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 63' ' ' HIS . 5.9 m170 -92.52 16.65 11.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.602 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 55.19 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.516 ' N ' ' O ' ' A' ' 61' ' ' HIS . 2.5 p-80 -88.06 41.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.481 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.515 ' OXT' ' CG ' ' A' ' 64' ' ' HIS . 37.3 t-80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.575 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.9 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.537 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 5' ' ' GLY . 4.8 pt-20 -54.77 159.46 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.74 39.79 1.56 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . -158.84 170.58 35.34 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' PHE . 46.0 t0 -141.48 43.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 1.0 110.6 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . 2.3 m-85 54.12 167.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.562 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 46.8 m-20 -74.61 -15.36 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 45.73 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.915 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 90.5 t80 41.76 94.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.642 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 78.64 41.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 -28.16 0.04 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.11 -27.15 17.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 1.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.37 -12.41 14.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -13.58 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.79 -10.53 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.628 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -98.02 -51.15 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.63 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -48.91 -12.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -86.37 -35.65 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.24 -37.71 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.4 t80 -51.03 -33.57 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.05 13.26 4.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' SER . 10.5 m-20 -136.18 -29.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.412 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.11 -53.43 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.353 179.846 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 14.5 ttpt -47.87 -37.34 13.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.989 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -101.19 -8.63 22.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.139 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 31' ' ' ILE . 23.0 t 51.78 50.93 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.057 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.9 -4.07 54.56 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.57 16.06 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.0 -38.63 3.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.636 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.3 mt -73.14 -34.24 2.28 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.512 179.339 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.4 Cg_exo -62.83 -31.63 77.92 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.102 1.868 . . . . 1.0 112.009 -179.619 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -71.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.65 -45.83 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.3 mmt -56.66 -55.51 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.7 tp -48.04 -30.17 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.62 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.9 t -96.81 -9.95 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.707 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' MET . 15.6 t80 -89.02 -57.56 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.636 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 1.02 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.696 -179.842 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 37' ' ' LEU . 95.7 mt -124.85 -28.57 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.36 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.55 0.42 58.18 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -135.07 17.58 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.691 0.282 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -127.71 -46.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.221 179.848 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.43 17.92 23.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 41.3 m-80 -133.82 -62.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 1.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.87 62.34 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.05 -52.93 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.778 0.323 . . . . 1.0 110.327 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.03 -60.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.527 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.54 -23.7 28.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.2 t90 -82.64 -44.79 15.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -71.72 -47.57 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.473 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.92 -35.06 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.29 -17.69 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.3 mtm-85 -107.18 -4.24 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.741 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -29.09 10.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -101.54 -25.69 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.03 -32.92 25.03 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -61.37 -12.06 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 110.644 -179.883 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 76.6 m-70 -142.47 73.32 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.602 179.966 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -101.63 -22.99 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 18.7 t-80 -174.06 -102.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.598 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 48.4 t-80 -100.82 43.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.2 m80 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.974 -1.012 . . . . 1.0 110.615 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.6 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER 54.88 -173.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.557 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -169.52 130.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.518 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.95 -120.53 0.95 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.86 -42.04 1.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -151.82 45.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 1.0 110.436 179.939 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.17 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' ASP . 93.7 m-20 -66.97 -55.91 12.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.476 179.863 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 52.53 167.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.963 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' ASN . 1.5 t80 37.47 31.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.727 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASN . 8.6 t80 -174.32 39.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.94 23.91 0.03 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.08 -31.24 5.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.4 p-10 -96.35 -27.45 14.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.621 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.37 -21.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 14' ' ' ASP . 8.6 pt20 -90.96 -25.87 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ASP . 8.9 t -71.42 -43.06 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.09 -15.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' N ' ' C ' ' A' ' 17' ' ' SER . 74.1 m -68.54 -27.29 65.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.606 -179.861 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.9 mm-40 -91.2 -6.59 53.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 35.3 t80 -49.21 -28.73 4.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.68 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -80.54 -20.84 42.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.707 -179.93 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.0 m-20 -105.74 -57.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -37.98 -33.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.139 -179.904 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 32.6 tttm -50.07 -42.15 49.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.586 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -111.36 -35.3 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.851 ' O ' HD12 ' A' ' 31' ' ' ILE . 19.2 m -108.84 48.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' O ' ' CD ' ' A' ' 32' ' ' PRO . . . -129.3 -5.64 4.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.51 26.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 1.0 110.522 179.871 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -168.03 -28.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.286 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.851 HD12 ' O ' ' A' ' 27' ' ' SER . 6.7 mt -66.95 -40.06 26.88 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.256 0.465 . . . . 1.0 112.256 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 87.9 Cg_exo -45.28 -26.1 2.32 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.791 1.661 . . . . 1.0 112.304 -179.294 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -64.94 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.305 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -66.27 -26.24 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.192 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -68.92 -56.86 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.313 179.811 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.416 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.62 -61.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.29 -38.82 54.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.3 t -88.65 2.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' TYR . 36.3 t80 -97.29 -55.76 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.568 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 36' ' ' MET . 0.3 OUTLIER -72.75 -5.74 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.3 mt -123.45 -12.29 7.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.549 179.816 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.73 -6.22 6.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 3.0 m -136.68 32.04 2.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -128.93 -47.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.063 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.36 15.41 6.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.346 -1.102 . . . . 1.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -123.72 -59.47 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 1.0 110.592 -179.793 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 -49.96 67.83 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.48 -50.17 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 1.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.96 -70.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.497 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' N ' HG12 ' A' ' 49' ' ' VAL . 95.2 mt -44.11 -27.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.464 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.54 -48.21 13.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.561 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.08 -43.05 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.7 t -59.89 -46.5 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.9 -16.02 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mtm-85 -107.93 4.75 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.709 -179.76 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 -25.53 5.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -103.39 -23.95 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.41 -29.71 48.26 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -63.2 -11.13 18.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 1.0 110.536 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -148.36 66.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.587 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 62' ' ' HIS . 1.6 t60 -159.45 134.55 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' HIS . 16.0 t60 58.37 127.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.685 -179.848 . . . . . . . . 2 2 . 1 . 033 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 49.28 50.31 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.882 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.947 -1.025 . . . . 1.0 110.786 -179.428 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmm . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 41.79 -162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.565 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -179.31 177.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . 145.04 135.94 2.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 4' ' ' GLY . . . -58.25 -117.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 17.3 p-10 -159.95 60.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 1.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.41 -167.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.3 t0 -55.97 -10.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 17.7 t-20 41.34 -94.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 2.5 m-85 -43.83 140.69 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.448 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 61.51 38.73 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.412 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.37 26.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.75 -30.0 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 1.0 110.315 179.856 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.1 m-20 -101.78 -24.31 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -48.59 -20.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.14 -26.01 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.0 p -70.74 -40.42 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.527 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -42.05 -24.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -82.67 -36.76 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.9 mm-40 -99.32 2.29 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.6 t80 -75.44 -66.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p -49.15 -21.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -48.05 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.512 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -45.44 -50.46 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -47.3 -25.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.578 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -101.76 -45.26 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -87.77 22.8 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.41 33.83 2.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.05 3.77 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 1.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.42 -36.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.808 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -74.0 -35.34 2.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.56 179.922 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.4 Cg_exo -59.93 -35.52 93.24 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.138 1.892 . . . . 1.0 112.08 -179.798 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.95 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 34' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.51 -52.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -41.51 -58.05 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.427 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -51.21 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.637 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.48 -13.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.654 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 38' ' ' VAL . 93.6 t -116.91 5.39 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.645 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 52.1 t80 -119.04 -13.62 9.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.758 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.1 pp -122.14 -18.14 6.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -112.06 -45.82 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.736 179.85 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.66 -0.98 85.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 43' ' ' THR . 85.0 m -131.31 19.96 4.83 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.768 0.318 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 91.9 m -125.23 -37.1 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.454 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.26 23.03 4.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -135.26 -43.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 1.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -43.07 39.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.27 -49.58 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.2 t -60.67 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.1 mt -42.14 -26.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.636 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.0 t90 -83.46 -47.94 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.629 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.46 -43.98 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.51 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.9 -48.66 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.671 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.24 -16.73 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.636 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.8 mtm-85 -103.84 -9.65 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.646 -179.841 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -105.81 -24.27 12.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.114 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -97.74 -19.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.707 179.36 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.42 -47.18 92.13 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 109.81 -1.316 . . . . 1.0 109.81 179.221 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -165.06 22.11 0.05 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.378 . . . . 1.0 110.283 179.648 . . . . . . . . 3 3 . 1 . 034 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 23.7 p80 40.21 26.94 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.203 -179.761 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.633 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 1.2 t-80 -102.89 -135.57 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.633 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 2.0 m-70 -100.94 -79.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 36.6 t-80 -100.47 43.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 31.2 p80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -81.01 132.47 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.631 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -172.57 56.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.13 68.51 0.12 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.19 -74.18 1.28 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t0 61.77 53.77 3.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.754 0.311 . . . . 1.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -159.5 87.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.582 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -150.81 14.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -59.67 -92.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.579 179.947 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.69 133.69 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.552 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 66.66 41.31 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -22.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.35 -28.05 16.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.832 0.348 . . . . 1.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.99 -15.56 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.288 179.819 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -20.37 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.479 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -100.51 -1.22 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 19' ' ' CYS . 17.8 p -98.38 -37.85 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -46.72 -18.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 17' ' ' SER . 31.3 t -75.49 -40.98 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.59 -7.95 30.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 32.0 t80 -54.08 -30.63 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.679 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 4.92 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -125.85 -56.15 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.314 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.66 -36.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.784 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 47.0 tttp -46.49 -39.11 10.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -110.28 -36.38 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -96.55 31.08 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.39 28.21 3.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.91 11.1 5.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 1.0 110.798 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.07 -36.33 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -75.56 -35.27 1.75 Allowed Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.898 179.946 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.4 Cg_exo -53.72 -23.39 26.21 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.195 1.93 . . . . 1.0 112.428 -179.182 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -69.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.475 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -35.97 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.966 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.33 -61.31 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.657 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -40.89 -52.08 3.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.73 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -35.25 72.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.642 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 38' ' ' VAL . 88.8 t -95.65 0.75 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' TYR . 10.3 t80 -95.64 -59.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.55 -9.1 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.4 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.15 -59.65 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.843 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -80.29 -48.24 6.5 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -51.96 -6.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.939 -0.304 . . . . 1.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 42' ' ' GLY . 1.8 m -107.07 -29.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.428 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.2 25.55 5.44 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.963 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' GLY . 10.0 m120 -153.78 -52.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 1.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.12 -40.12 88.32 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.87 -55.73 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 t -58.32 -64.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.381 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -47.58 -30.42 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.341 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -79.46 -42.75 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -48.54 70.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.284 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.28 -45.6 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.472 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -64.74 -28.24 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.381 179.814 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.664 ' HE ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.59 -11.99 56.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.572 179.795 . . . . . . . . 3 3 . 1 . 035 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -32.13 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.731 -179.543 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -13.59 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 60' ' ' HIS . . . -90.3 -53.4 2.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.99 8.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 58' ' ' GLY . 1.3 t-160 -54.91 -43.67 73.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -145.41 -157.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -93.45 -66.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.453 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 1.1 t60 -97.51 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.512 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.58 179.996 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.98 66.49 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.31 151.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.68 122.19 1.05 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.21 -141.54 3.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.19 72.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 1.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 9' ' ' ASN . 89.3 t80 -91.39 125.19 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.95 22.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.495 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -48.12 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.551 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -169.64 38.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.11 0.481 . . . . 1.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.73 27.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -108.18 -36.14 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 1.0 110.529 179.959 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.63 -26.02 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.475 179.87 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -15.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -100.99 -14.28 17.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.563 -179.953 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' H ' ' A' ' 19' ' ' CYS . 43.9 t -98.3 -27.02 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -56.58 -5.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' A' ' 17' ' ' SER . 25.3 t -101.5 -35.45 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.97 -25.89 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.7 t80 -49.97 -35.77 25.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -75.15 -18.3 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.9 -53.49 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -45.42 -51.68 11.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.579 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -49.81 -22.8 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.14 -47.12 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -86.02 13.62 7.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.512 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -123.75 36.17 3.07 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.7 -2.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.284 . . . . 1.0 110.68 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.15 -34.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mt -74.51 -35.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.45 179.809 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.25 -23.54 74.47 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.171 1.914 . . . . 1.0 112.023 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -69.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.736 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.84 -47.96 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 1.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -47.27 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 1.2 tp -61.26 -36.93 81.35 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 38' ' ' VAL . 25.5 t -79.52 -9.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.93 0.395 . . . . 1.0 110.234 179.758 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -99.6 -53.41 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.76 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -86.74 -22.67 25.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.655 -179.905 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -115.71 23.06 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.208 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.01 -32.48 0.04 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.464 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -119.29 34.99 4.99 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.69 0.281 . . . . 1.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.6 m -140.31 -59.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.427 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.19 -15.24 65.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.1 m-20 -67.88 -56.11 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 1.0 110.538 179.933 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.73 -51.77 57.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.05 -46.42 53.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.218 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.14 -58.84 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 90.9 mt -60.12 -10.99 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.506 179.806 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' NH1' ' A' ' 55' ' ' ARG . 27.8 t90 -99.85 -37.43 9.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 m -81.05 -42.34 21.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.452 . . . . 1.0 109.84 179.287 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.74 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.108 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -58.27 -23.54 56.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 21.8 mtt180 -94.23 -22.28 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -91.89 -27.33 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.483 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -104.19 -8.83 19.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.402 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.64 -32.3 11.66 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -54.74 -51.12 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 1.0 110.593 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -76.12 59.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.609 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -67.57 -40.24 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -167.58 -65.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.572 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.12 42.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 2.7 m-70 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.556 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 46.78 80.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -178.38 169.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.33 -131.09 1.46 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.09 -124.03 5.25 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.08 66.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 1.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -139.86 66.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.7 19.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 11' ' ' TYR . 28.3 t30 -61.92 -69.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.595 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -71.1 39.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 1.0 110.611 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.9 t80 -168.97 40.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.5 31.29 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.39 -28.19 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 1.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.05 -37.55 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -34.67 42.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -96.57 6.02 49.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.519 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' TYR . 4.2 t -103.18 -46.66 4.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -39.56 -57.63 1.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -55.22 -28.93 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' SER . 19.1 mm-40 -110.08 15.54 22.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.8 t80 -78.01 -53.08 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 1.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 p -56.87 -14.5 3.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.404 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -52.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -39.24 -41.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.073 -179.765 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -44.0 -38.24 3.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.58 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -110.91 -36.75 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 t -91.74 18.08 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.481 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -81.06 -3.36 90.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.72 -7.62 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.695 0.284 . . . . 1.0 110.76 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.84 -15.15 3.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.214 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 16.1 mt -78.87 -33.12 0.85 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.07 0.396 . . . . 1.0 112.07 -179.81 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 41.7 Cg_exo -54.25 -18.91 15.26 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.98 1.787 . . . . 1.0 112.136 -179.592 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.95 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.233 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.45 -45.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 1.0 109.934 179.469 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -42.34 -52.09 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.027 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -47.7 -63.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.28 179.717 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.4 tp -51.96 -41.78 62.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.352 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 38' ' ' VAL . 84.2 t -80.67 -2.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.95 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 35' ' ' TYR . 78.0 t80 -105.17 -33.35 8.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.546 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.12 -2.88 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -123.74 -30.71 3.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.096 179.623 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -2.99 59.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.07 22.16 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 m -123.44 -37.88 2.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.441 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.51 19.06 4.56 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 15.0 m-80 -126.24 -47.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 1.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.75 -48.54 8.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.05 -41.78 88.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 1.0 110.333 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.76 -62.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 46' ' ' ASN . 8.3 mt -51.99 -25.39 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 69.8 t90 -85.14 -48.53 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.635 -179.797 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -64.83 -39.49 93.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.503 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 t -63.16 -45.95 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -18.03 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.774 -179.84 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.1 mtm-85 -106.97 2.68 25.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.925 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -119.28 -25.62 6.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.223 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -102.6 -27.61 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.79 -34.62 27.17 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.591 -1.004 . . . . 1.0 110.591 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -74.02 -12.13 60.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 1.0 110.601 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -157.22 91.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.55 ' HE2' ' C ' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -62.79 -80.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.648 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 60.8 m80 -142.46 -82.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.672 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 44.6 m-70 -86.96 40.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 64' ' ' HIS . . . . . 0.55 ' C ' ' HE2' ' A' ' 61' ' ' HIS . 41.2 p-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.074 -0.965 . . . . 1.0 110.689 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.678 ' N ' HG21 ' A' ' 44' ' ' THR . 42.7 ttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.69 148.82 23.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . 2.2 mt-10 53.44 -172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.491 179.901 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -134.51 3.4 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.91 -71.13 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.16 58.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 1.0 110.674 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -136.42 43.51 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.96 6.78 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -57.82 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.596 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ASN . 67.0 t80 44.09 97.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 71.61 39.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.195 0.521 . . . . 1.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.88 -21.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.08 -25.36 13.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.927 0.394 . . . . 1.0 110.287 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.95 -18.58 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.138 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -62.84 -33.49 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 16.36 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.3 p -116.25 -54.23 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' OG ' ' A' ' 17' ' ' SER . 55.2 mt-10 -62.78 -43.87 97.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -71.08 -33.53 70.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.695 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -102.64 11.77 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.77 -179.852 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -76.1 -49.73 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.535 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -61.3 -25.33 67.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.52 -45.64 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.757 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -43.44 -52.61 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.8 -179.875 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -42.1 -26.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.562 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 t -106.13 -42.97 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 29' ' ' ALA . 17.2 m -76.83 0.45 20.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -55.9 -5.68 1.03 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -98.54 1.91 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.778 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.46 17.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -77.41 -33.6 1.08 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.646 179.917 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.2 Cg_exo -58.18 -27.8 81.65 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.904 1.736 . . . . 1.0 112.034 -179.813 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -64.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.13 -47.52 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -43.57 -52.51 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.6 mmt -50.38 -66.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.666 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.54 -23.16 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.0 -179.643 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 38' ' ' VAL . 69.2 t -107.29 9.49 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.096 -179.785 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 35' ' ' TYR . 89.6 t80 -120.81 -25.51 5.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.7 -0.31 18.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.754 -179.843 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -131.27 -37.57 1.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.53 179.747 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.81 -6.12 60.81 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.453 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.18 27.65 2.87 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.678 HG21 ' N ' ' A' ' 1' ' ' MET . 17.8 m -136.96 -52.43 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.378 179.794 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.31 -7.22 59.51 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.7 -51.97 6.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 1.0 110.556 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.12 -48.78 44.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.13 -49.38 69.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 1.0 110.386 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.78 -69.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -46.52 -22.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 72.0 t90 -85.15 -45.67 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -70.35 -44.82 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.67 -38.9 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.661 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.35 -15.6 63.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -109.5 0.17 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.113 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -29.38 7.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.334 179.668 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -98.25 -29.53 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.81 -37.56 6.38 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -73.95 -22.87 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 11.8 t-160 -77.34 40.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.87 -62.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.526 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.6 -65.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -100.7 42.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.523 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 t60 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.936 -1.031 . . . . 1.0 110.613 -179.976 . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 039 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -101.01 79.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.58 -179.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.553 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.56 -68.78 0.95 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.91 127.21 27.62 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.986 -0.845 . . . . 1.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -159.15 50.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 1.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -52.85 101.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -136.84 2.93 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.583 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.434 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 39.7 t-20 42.19 -129.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.522 -179.968 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.467 ' CD2' ' CG ' ' A' ' 14' ' ' ASP . 0.1 OUTLIER 43.65 38.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.055 0.455 . . . . 1.0 110.506 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 43.72 43.56 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.56 64.6 2.27 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.73 -34.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 m-20 -82.12 -35.6 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.548 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -28.14 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.1 -9.61 33.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' GLU . 28.3 p -87.49 -50.03 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -41.84 -27.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -75.51 -40.93 56.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.0 pt-20 -96.84 -0.46 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.658 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' SER . 37.1 t80 -69.48 -31.81 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.574 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -79.36 -16.15 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.56 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.578 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.19 -43.77 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -49.88 -34.07 19.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 t -97.51 -35.04 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -90.78 15.49 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.08 -9.29 77.25 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.91 43.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 1.0 110.249 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -172.82 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.971 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 mt -73.04 -33.95 2.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 111.872 0.323 . . . . 1.0 111.872 -179.783 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.1 Cg_exo -58.3 -32.83 96.9 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 121.909 1.74 . . . . 1.0 111.999 -179.849 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.9 -42.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -55.57 32.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.57 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.7 -58.17 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.13 -26.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.734 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.8 t -95.01 -24.71 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -76.8 -58.23 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.638 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.59 1.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.4 -66.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.658 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.87 12.16 70.22 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.77 32.07 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 1.0 110.589 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.8 -51.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.36 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.84 1.28 30.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.671 -0.971 . . . . 1.0 110.671 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -102.47 -61.39 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.01 56.55 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.89 -51.11 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.307 . . . . 1.0 110.278 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.4 t -60.27 -67.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 49' ' ' VAL . 74.3 mt -45.91 -26.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 67.9 t90 -82.87 -46.68 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -67.54 -45.49 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.14 -48.03 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.727 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -55.17 -18.75 6.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.678 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.7 mtm-85 -101.43 -9.23 21.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 -179.663 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -107.23 -23.96 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.406 . . . . 1.0 109.932 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -89.48 -27.35 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.751 179.44 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.3 -51.08 15.96 Favored Glycine 0 C--N 1.33 0.204 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 42.8 t60 -168.65 20.42 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.635 0.731 . . . . 1.0 109.914 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 60' ' ' HIS . . . . . 0.49 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 51.1 t-80 41.06 32.07 0.16 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.378 179.561 . . . . . . . . 2 2 . 1 . 039 nuclear build full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -50.51 168.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -66.39 -78.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -92.3 39.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.296 179.81 . . . . . . . . 1 1 . 1 . 039 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.647 -179.888 . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 040 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.23 71.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -173.06 42.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.38 -86.34 0.7 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 45.42 -165.76 0.06 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.7 46.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 1.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 42.02 43.48 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.566 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 9' ' ' ASN . 21.0 t0 -152.86 40.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.449 ' O ' ' O ' ' A' ' 10' ' ' TYR . 10.3 p-10 -43.58 168.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.513 179.975 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' ASN . 7.6 t80 58.46 143.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 41.95 39.27 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.493 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.61 29.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.43 -27.72 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 1.0 110.655 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -89.32 -31.78 17.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.622 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -51.35 -28.01 11.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.596 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.3 25.18 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -136.89 -48.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.541 179.981 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.96 -20.96 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -101.44 -29.77 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.85 -16.67 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 1.2 t80 -67.79 -37.76 82.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -18.64 61.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.59 -55.78 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.65 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.82 -40.55 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -51.88 -37.07 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -97.85 -30.76 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -92.76 13.46 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.538 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.85 0.12 87.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.03 41.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 1.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -159.45 -32.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -71.35 -36.42 4.74 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.448 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.39 -34.02 93.65 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.112 1.874 . . . . 1.0 112.111 -179.69 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.2 -69.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.02 -47.28 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.138 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -52.77 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.427 179.831 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -56.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 42.2 tp -49.66 -32.02 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.409 -179.747 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 38' ' ' VAL . 68.8 t -97.08 -4.14 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 1.0 110.624 -179.429 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.4 t80 -90.31 -41.74 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.672 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.05 -18.88 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 41' ' ' LEU . 4.0 pp -111.94 -9.97 13.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.325 179.674 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 42' ' ' GLY . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -108.06 2.25 33.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -130.89 6.31 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.625 0.25 . . . . 1.0 110.59 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 4.1 t -118.53 -38.06 3.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -115.06 9.93 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.632 -0.987 . . . . 1.0 110.632 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -134.29 -50.64 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 1.0 110.44 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 51' ' ' TRP . . . -59.38 -50.41 68.03 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -48.82 -52.11 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 1.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.5 t -60.55 -68.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HG12 ' A' ' 49' ' ' VAL . 84.1 mt -49.19 -22.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 51' ' ' TRP . . . . . 0.407 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 73.8 t90 -84.49 -43.99 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -67.98 -43.38 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.2 t -64.59 -50.81 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.57 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -48.88 -13.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.461 179.883 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 53' ' ' VAL . 8.6 mtp85 -103.05 -22.06 13.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.666 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.2 ptmt -94.44 -28.71 15.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.441 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -101.42 -12.09 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.35 -33.51 19.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -10.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 1.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -144.29 92.26 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 61' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 61' ' ' HIS . 50.2 t-80 -99.4 55.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.605 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.5 OUTLIER 59.62 117.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.613 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t60 49.45 40.71 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear build full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.599 -179.924 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.21 -25.54 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.455 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 40.9 m-20 -108.65 -17.54 13.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.408 ' OD1' ' OE2' ' A' ' 18' ' ' GLU . 6.8 t30 -50.6 -21.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.98 -25.68 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ASP . 4.5 t -81.93 -28.4 32.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' A' ' 15' ' ' ASN . 8.0 pt-20 -52.82 -21.55 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.9 m -87.97 -30.11 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -89.13 -23.67 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 3.7 t80 -50.81 -35.37 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 p -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -92.18 -55.16 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -45.33 -49.22 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.602 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -54.19 -24.38 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 34.5 m -94.26 -49.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.77 23.44 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -132.36 30.97 3.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.45 -18.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.679 0.276 . . . . 1.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.129 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.494 1.524 0 CA-C-O 120.82 0.258 . . . . 1.0 112.025 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.41 -70.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.02 -50.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -45.08 -57.6 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.0 mmt -61.12 -62.2 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.72 -21.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' MET . 33.9 t -101.0 -24.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 29.6 t80 -78.45 -57.33 3.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 2.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 mt -100.61 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.595 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.95 10.69 71.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.059 -0.816 . . . . 1.0 111.059 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.78 32.12 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 1.0 110.615 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.99 -50.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.77 -13.42 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.84 -54.53 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 1.0 110.496 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.604 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -57.18 -47.64 86.07 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 tp -56.94 -50.38 72.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 1.0 110.355 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.7 t -60.33 -69.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.5 mt -45.64 -28.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -78.46 -49.0 14.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 m -62.33 -46.94 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.54 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.0 -47.28 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.2 m-85 -53.71 -12.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -105.28 -13.46 15.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -29.44 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -99.94 -28.7 12.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.7 -28.05 57.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 1.0 110.613 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.712 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -112.09 -34.96 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 1.0 110.475 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.53 -22.3 21.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.6 -25.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -25.88 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.8 t -81.98 -25.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.565 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.3 mt-10 -59.56 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -46.42 -27.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 71.4 mm-40 -88.94 -20.85 23.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.667 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' SER . 33.5 t80 -48.44 -29.03 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -79.4 -21.88 45.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -106.88 -56.6 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.743 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.06 -34.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.975 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 16.5 tttp -52.9 -42.13 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.521 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 m -108.61 -15.33 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.761 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.2 m -102.45 0.23 33.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -76.72 3.51 55.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.93 -6.03 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.688 0.28 . . . . 1.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.954 -179.837 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo . . . . . 0 N--CA 1.495 1.614 0 CA-C-O 120.794 0.247 . . . . 1.0 112.066 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.86 -36.64 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.257 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.07 -62.79 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.542 ' SD ' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -52.12 -57.4 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.613 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -48.75 -34.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.506 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.44 -20.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' TYR . 3.7 t80 -77.53 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.46 0.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.9 mt -101.54 -52.18 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.64 10.71 61.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.63 24.84 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.696 0.284 . . . . 1.0 110.553 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -129.78 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.45 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.6 17.97 6.42 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -126.8 -50.62 1.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.864 0.364 . . . . 1.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.31 -45.99 82.0 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.32 -51.5 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 1.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.1 t -59.42 -65.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.412 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -48.57 -28.72 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.471 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.4 t90 -78.43 -47.73 16.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.452 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' LYS . 18.0 m -64.91 -51.97 59.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.396 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.1 t -52.44 -53.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.385 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.44 -46.99 48.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.479 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -75.79 -26.54 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.463 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' THR . 7.5 tptm -62.41 -55.49 27.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -84.17 -15.61 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.76 -29.6 47.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.88 -35.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 1.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 16' ' ' GLN . 20.5 m-20 -98.03 -23.43 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.83 -13.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.48 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 14' ' ' ASP . 3.7 pp0? -100.17 -24.29 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -83.31 -25.35 31.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.524 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.41 -5.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.485 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.482 ' H ' ' C ' ' A' ' 17' ' ' SER . 5.6 m -101.54 -43.09 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.42 ' OE1' ' O ' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -85.77 -17.45 35.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.54 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.58 80.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -13.37 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.573 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.39 -47.03 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -52.69 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -46.89 -23.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -101.55 -44.68 5.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -79.26 11.6 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.72 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.42 8.0 80.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.08 20.83 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.92 179.976 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_exo . . . . . 0 N--CA 1.494 1.512 0 CA-C-O 120.782 0.242 . . . . 1.0 111.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.7 -39.6 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -62.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.521 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.03 -54.23 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 tp -47.74 -30.08 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.6 t -92.91 -23.1 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 2.3 t80 -76.7 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.7 0.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.1 mt -97.16 -59.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.557 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.02 9.19 65.54 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -131.96 32.63 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 1.0 110.566 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.3 m -136.79 -51.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.0 -6.8 48.37 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.611 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.56 -51.35 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.611 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.34 -53.5 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -49.48 -51.46 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 1.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.4 t -60.2 -72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.462 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 93.5 mt -44.59 -26.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.476 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.44 -47.89 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.483 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.51 -42.28 87.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.23 -45.41 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.24 -14.83 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -110.62 5.04 20.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.82 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -120.42 -27.18 5.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.331 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -101.43 -32.87 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.54 -30.1 34.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 1.0 110.595 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.615 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.8 -31.82 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 1.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -84.29 -28.75 26.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.466 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.62 -27.29 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.461 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -103.42 -2.19 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -101.92 -41.14 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.09 -23.31 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.41 -29.85 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -94.26 -23.86 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.38 -32.68 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.7 p -77.72 -20.51 53.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -51.94 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -44.27 -56.57 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.545 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -47.04 -22.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.39 -47.8 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.673 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -77.48 2.92 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -94.25 1.11 66.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.16 41.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.031 179.855 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_exo . . . . . 0 N--CA 1.494 1.558 0 CA-C-O 120.817 0.257 . . . . 1.0 112.036 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.634 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -49.08 -48.14 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -51.75 -55.24 20.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.11 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.639 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.8 tp -46.91 -17.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 36' ' ' MET . 35.9 t -101.89 -24.65 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' MET . 34.8 t80 -80.54 -56.2 4.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.95 1.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -101.22 -61.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.58 10.58 72.58 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -136.2 33.27 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 1.0 110.525 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -135.94 -51.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -105.04 -6.72 39.35 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.39 -51.08 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.42 39.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tp -53.5 -45.01 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' GLY . 5.1 t -59.5 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.38 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.35 -25.68 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -81.44 -47.39 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 m -64.4 -45.75 86.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.81 -46.14 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -16.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.462 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.1 mtp85 -101.48 -12.3 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.69 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -29.69 11.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -100.48 -30.89 11.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.95 -27.54 60.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.552 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.623 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.03 -26.11 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.562 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 12.6 p-10 -109.25 -16.97 13.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -50.87 -19.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.61 -25.3 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.552 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' N ' ' A' ' 19' ' ' CYS . 67.1 p -78.15 -49.5 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.589 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -49.54 -14.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.581 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.429 ' N ' ' C ' ' A' ' 17' ' ' SER . 16.5 t -68.41 -28.88 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -94.33 9.27 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.451 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.81 -46.83 62.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.9 p -62.84 -25.91 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.59 -39.93 11.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.532 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLY . 21.3 t90 -46.9 -52.95 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -46.6 -31.86 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -89.27 -49.41 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 m -84.55 16.52 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -127.12 35.97 2.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.54 -3.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.68 0.276 . . . . 1.0 110.652 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 N--CA 1.493 1.492 0 CA-C-O 120.801 0.25 . . . . 1.0 111.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.12 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.19 -46.2 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -64.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.413 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.2 mmt -61.25 -56.49 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.03 -25.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -101.14 -26.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -71.21 -58.03 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.28 -36.43 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -71.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -57.84 -57.69 18.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.443 ' O ' HG22 ' A' ' 43' ' ' THR . 9.0 m -48.2 -13.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.282 . . . . 1.0 110.691 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' C ' ' A' ' 42' ' ' GLY . 95.8 m -110.82 -26.51 9.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.61 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.82 -4.63 56.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.045 -0.822 . . . . 1.0 111.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -106.93 -44.32 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.802 0.334 . . . . 1.0 110.576 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.529 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.1 -56.52 8.83 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.64 -47.82 20.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 1.0 110.388 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.6 t -62.15 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.499 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.6 mt -42.0 -30.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 77.9 t90 -72.97 -51.01 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.297 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -56.83 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.062 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 t -43.43 -38.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.523 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.25 -52.38 54.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -72.23 -9.59 58.66 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.554 -0.536 . . . . 1.0 109.554 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -87.06 -51.88 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.324 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -23.82 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.619 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.55 -28.77 51.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.0 110.587 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 -27.89 2.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.814 0.34 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -28.96 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -50.09 -28.79 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.618 ' H ' HE21 ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.23 -26.99 18.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' TYR . 62.0 p -74.31 -34.93 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' TYR . 24.2 mt-10 -58.99 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -43.28 -27.77 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.84 -29.4 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.578 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.2 t80 -67.64 -35.06 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 t -78.69 -14.43 59.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.81 -53.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.87 -44.58 9.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -47.81 -30.52 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.8 m -102.59 -42.84 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.52 30.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.612 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -128.94 24.9 4.73 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.12 17.67 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 1.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.743 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.7 Cg_exo . . . . . 0 N--CA 1.494 1.505 0 CA-C-O 120.782 0.242 . . . . 1.0 112.02 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -67.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.87 -39.42 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -61.22 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.05 -55.74 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.604 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.93 -35.99 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.2 t -90.61 -8.94 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.2 t80 -84.89 -54.52 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.65 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -3.23 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 86.8 mt -124.5 -2.82 7.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.5 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.79 4.42 3.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -150.96 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 1.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -129.65 -46.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.306 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.21 5.03 11.15 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.691 -0.963 . . . . 1.0 110.691 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 29.7 m-80 -103.18 -50.53 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.858 0.361 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.84 40.16 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.46 -48.0 69.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.422 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.7 t -59.82 -71.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 7.2 mt -41.72 -31.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 78.9 t90 -77.92 -49.0 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.533 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -61.57 -44.92 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.364 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.469 ' C ' ' N ' ' A' ' 55' ' ' ARG . 61.4 t -64.22 -48.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-85 -48.87 -12.78 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.567 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 23.3 mtm180 -105.45 -19.97 13.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -99.48 -23.83 14.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.554 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -104.13 -15.32 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.01 -30.14 39.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 . . . . . 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 1.0 110.6 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.661 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -33.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 1.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.2 p-10 -91.58 -26.29 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.408 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.69 -15.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.485 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 14' ' ' ASP . 10.6 pt20 -101.93 -24.2 14.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.503 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' ASP . 20.1 t -74.18 -36.66 64.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.09 -24.79 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.13 -30.61 69.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -83.29 -6.25 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -95.65 -45.12 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.543 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 1.5 t -67.39 -23.01 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.598 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.98 -42.47 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -54.94 -59.46 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -50.87 -27.95 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -48.86 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.34 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -0.68 15.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.77 -9.82 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp . . . . . 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.642 179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo . . . . . 0 N--CA 1.494 1.544 0 CA-C-O 120.776 0.24 . . . . 1.0 112.065 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.54 -68.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -48.35 -40.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.482 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -62.91 -59.1 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -55.3 36.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.544 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -49.88 -31.57 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.66 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 34' ' ' ILE . 54.4 t -89.74 -19.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.526 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.5 t80 -79.72 -58.85 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 1.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.2 mt -99.05 -65.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.617 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.97 11.45 72.09 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.14 33.17 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.669 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -136.36 -50.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.15 -2.16 38.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -89.13 -49.6 6.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.7 -50.69 34.75 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.21 -48.38 68.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 1.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.5 t -60.13 -72.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -41.49 -30.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.612 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.6 t90 -77.34 -50.69 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.602 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -64.2 -44.74 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.99 -46.25 87.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.74 -14.84 9.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.39 9.64 23.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.745 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.29 -26.81 4.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -98.89 -38.8 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.68 -29.69 42.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 1.0 110.616 -179.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.98 -28.1 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 1.0 110.589 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 4.3 m-20 -96.94 -27.33 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -26.3 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.83 -16.97 19.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 19' ' ' CYS . 82.7 p -76.54 -40.2 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.1 -11.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.473 ' H ' ' C ' ' A' ' 17' ' ' SER . 17.6 t -71.82 -29.64 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.539 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.25 -22.74 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.15 -35.03 74.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -74.01 -21.28 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -91.4 -53.21 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -42.83 -49.05 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -57.47 -30.72 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ASP . 13.8 m -81.87 -48.58 11.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -0.65 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.91 6.62 82.75 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 -3.58 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp . . . . . 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.705 -179.955 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 29.2 Cg_exo . . . . . 0 N--CA 1.495 1.588 0 CA-C-O 120.82 0.258 . . . . 1.0 111.985 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.43 -68.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.484 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -52.4 -48.06 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -60.58 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.515 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' N ' ' A' ' 38' ' ' VAL . 7.8 mmt -59.02 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -49.08 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 ' N ' ' C ' ' A' ' 36' ' ' MET . 50.3 t -115.32 -13.45 11.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.3 t80 -95.57 -15.52 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -112.17 2.08 16.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -103.86 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.103 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.56 9.26 58.8 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.092 -0.575 . . . . 1.0 111.829 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 31.14 4.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.891 0.377 . . . . 1.0 110.519 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -138.09 -47.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.341 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.56 -1.24 46.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.65 -50.38 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 1.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.68 -45.16 90.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.36 -48.8 79.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 1.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.0 t -59.74 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.4 mt -43.59 -30.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.535 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 81.1 t90 -77.54 -50.52 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -59.74 -43.95 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.496 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 55' ' ' ARG . 47.3 t -65.47 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.25 -12.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.569 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 26.6 mtm180 -104.08 -22.27 13.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.668 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.7 ptmt -93.98 -29.07 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -101.51 -12.78 18.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.519 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.65 -30.56 26.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 1.0 110.574 -179.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.587 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.0 -27.69 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 1.0 110.593 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.38 -29.46 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -48.09 -28.96 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -80.09 -30.36 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.465 ' C ' ' N ' ' A' ' 19' ' ' CYS . 39.7 t -70.5 -53.0 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.603 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -47.74 -14.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.26 -32.53 18.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.585 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.0 mm-40 -92.31 -31.91 15.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 20.9 t80 -53.14 -32.71 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -18.73 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.37 -57.03 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.8 -42.31 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.528 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -50.68 -36.82 37.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.591 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -95.94 -34.4 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -87.53 13.58 9.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.21 -10.69 74.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.52 43.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 1.0 110.238 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.055 -179.861 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.494 1.507 0 CA-C-O 120.869 0.279 . . . . 1.0 111.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.36 -69.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.47 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -58.15 -45.64 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.21 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -52.98 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.2 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -66.99 -57.91 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -45.66 -37.67 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.467 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 t -82.38 -29.99 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.016 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.5 t80 -71.63 -59.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.85 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -63.29 0.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.603 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.1 mt -96.06 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.9 3.31 85.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.54 42.34 3.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 21.8 m -140.31 -55.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.98 -8.55 39.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -48.44 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.555 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.99 -46.53 65.67 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 48' ' ' LEU . 41.4 tp -57.11 -49.06 77.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 1.0 110.379 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 50' ' ' LEU . 11.5 t -60.16 -70.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.596 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.486 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -42.18 -30.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.529 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -77.66 -50.32 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.561 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -58.51 -42.97 88.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 55' ' ' ARG . 35.6 t -62.9 -47.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -13.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 53' ' ' VAL . 9.6 mtp85 -103.68 -14.83 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -102.41 -28.63 12.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -99.73 -29.95 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.14 -28.64 55.77 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.0 110.596 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.513 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.5 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 1.0 110.616 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.07 -29.38 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -28.23 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -99.7 -4.28 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.6 p -96.03 -36.09 11.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' TYR . 44.0 mt-10 -54.51 -64.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.558 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -43.02 -29.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -92.26 -27.43 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.5 t80 -52.23 -30.91 29.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 p -76.22 -20.59 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -98.64 -60.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.607 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.436 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -41.56 -31.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.576 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.62 -37.38 56.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' ASP . 58.2 m -95.63 -2.53 48.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -136.17 -53.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.648 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 24' ' ' TRP . . . -60.21 -1.08 1.4 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -102.93 -9.08 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 1.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.662 179.971 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo . . . . . 0 N--CA 1.493 1.491 0 CA-C-O 120.789 0.246 . . . . 1.0 111.993 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -54.06 -36.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -57.44 8.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.94 -57.7 11.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.622 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 tp -46.65 -28.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.517 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.8 t -98.07 -13.2 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 17.7 t80 -81.05 -48.27 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.577 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -2.08 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 37' ' ' LEU . 91.1 mt -125.63 -0.41 7.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.36 3.18 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.31 23.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 1.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -132.44 -48.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.33 -4.33 43.92 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.68 -53.28 4.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 1.0 110.59 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.602 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -62.67 -54.56 32.92 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.94 -51.27 24.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.302 . . . . 1.0 110.43 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.7 t -60.69 -72.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.49 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -46.66 -21.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.472 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.7 t90 -85.56 -44.07 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -66.43 -41.5 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' LYS . 38.0 t -62.54 -52.43 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -14.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.508 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.472 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.6 mtp85 -101.51 -20.68 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.607 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -94.61 -29.24 14.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.435 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 -13.91 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.505 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.54 -31.99 20.3 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.549 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.593 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.89 -27.57 2.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 1.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -95.35 -25.71 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.571 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -26.57 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.529 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -3.66 55.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -96.03 -48.9 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.83 -26.34 46.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -78.35 -29.72 47.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.604 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.34 -29.7 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -51.47 -38.6 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -68.23 -14.08 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -102.69 -46.63 4.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.53 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' GLY . 22.9 t90 -42.34 -52.05 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -49.69 -31.98 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ASP . 32.2 t -88.61 -49.27 6.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 m -84.54 15.17 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -126.78 37.03 2.5 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.7 -4.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 1.0 110.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.752 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 22.1 Cg_exo . . . . . 0 N--CA 1.494 1.52 0 CA-C-O 120.855 0.273 . . . . 1.0 112.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.64 -51.2 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.56 -56.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.186 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -52.51 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.389 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -49.89 -44.48 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.5 t -78.98 -14.58 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' THR . 38.1 t80 -80.67 -60.19 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 1.0 110.77 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -1.48 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.815 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.5 mt -122.95 -8.64 8.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.467 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 7.11 4.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -148.42 20.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 1.0 110.617 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -132.2 -47.85 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.21 -2.71 44.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.603 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.38 -50.67 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.708 0.29 . . . . 1.0 110.514 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.89 -47.37 83.64 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.92 -47.54 77.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 1.0 110.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.1 t -61.25 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 11.1 mt -41.71 -30.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.0 t90 -76.3 -51.27 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.45 -43.95 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.527 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -58.37 -46.78 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -58.33 -14.57 7.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.92 5.51 20.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.808 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.4 -26.81 5.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -101.73 -31.47 10.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.526 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.31 -31.1 31.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 1.0 110.606 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.603 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.7 -27.1 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 1.0 110.624 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.22 -29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -52.61 -34.98 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -95.31 9.84 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.458 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' TYR . 12.3 t -104.41 -48.06 3.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -41.51 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 t -75.7 -39.21 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 mm-40 -104.73 0.54 28.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.0 t80 -63.19 -29.75 71.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 p -80.16 -12.67 59.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.39 -57.19 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.716 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.17 -35.74 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.776 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -51.74 -40.3 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -107.74 -17.97 13.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -104.03 10.28 36.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -83.11 -2.33 90.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.04 33.48 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 1.0 110.417 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.937 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.6 Cg_exo . . . . . 0 N--CA 1.494 1.538 0 CA-C-O 120.776 0.24 . . . . 1.0 111.988 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -67.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.639 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.55 -40.45 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.371 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -50.52 -49.78 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.359 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.1 mmt -61.18 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -57.76 -9.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.81 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.3 t -116.12 -12.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' TYR . 85.7 t80 -94.51 -51.55 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.524 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.95 -12.04 60.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 mt -85.81 -41.96 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.011 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -84.95 -56.16 2.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 43' ' ' THR . 99.6 m -46.02 -14.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 1.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m -108.51 -27.68 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -112.25 17.54 24.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -139.86 -45.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 1.0 110.456 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.41 -46.52 55.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.45 -49.17 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 1.0 110.206 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.74 -64.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.64 -29.95 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 75.2 t90 -75.55 -49.43 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.516 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.6 m -61.79 -51.75 67.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.292 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.0 t -51.11 -58.63 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.376 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -43.39 -48.57 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 2.3 mtp85 -75.24 -28.23 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.502 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.1 tptm -62.05 -58.69 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.623 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -82.43 -14.33 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.52 -30.17 41.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 1.0 110.638 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.619 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.97 -35.22 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 1.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.18 -31.22 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -48.37 -25.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -85.37 -37.49 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.5 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -60.86 -53.02 62.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.525 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.2 -6.85 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 -35.35 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.3 -25.75 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -51.95 -37.84 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.582 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -21.75 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -96.03 -57.6 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.6 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -41.94 -46.94 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -54.35 -32.14 56.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t -89.92 -48.49 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -79.84 10.26 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -90.47 9.84 76.31 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.32 19.8 19.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 1.0 110.643 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.893 -179.937 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 23.9 Cg_exo . . . . . 0 N--CA 1.493 1.463 0 CA-C-O 120.876 0.282 . . . . 1.0 112.082 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.86 -40.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -62.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.467 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.8 mmt -57.31 -54.76 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.499 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -47.8 -31.73 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.547 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.1 t -95.16 -10.26 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.8 t80 -88.04 -57.9 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 0.57 4.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' LEU . 92.0 mt -125.27 -26.61 3.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.395 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.01 -2.28 48.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.19 28.86 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 1.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -135.2 -50.09 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.57 -9.57 43.38 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.525 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.6 -47.37 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 1.0 110.537 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.24 -48.97 49.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.39 -47.27 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 1.0 110.379 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 50' ' ' LEU . 15.7 t -60.8 -72.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.492 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.4 mt -41.3 -27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.0 t90 -81.61 -48.94 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -66.43 -43.77 84.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.546 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.5 t -59.62 -46.77 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.791 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -55.65 -23.83 30.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.685 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.2 mtm-85 -97.94 3.59 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -23.48 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.914 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -33.28 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.173 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -30.14 45.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 1.0 110.634 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.581 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.01 -28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.604 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 -19.98 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -57.65 -21.58 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -99.99 1.83 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -98.35 -48.39 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.572 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.64 -17.85 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.2 -30.32 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.614 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -91.26 -28.3 17.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 33.0 t80 -52.21 -31.4 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 p -82.91 -12.24 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.91 -44.64 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -56.86 -48.17 78.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.595 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -55.35 -20.55 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -96.14 -48.97 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.662 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.76 32.1 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.689 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.28 12.86 3.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.06 -18.23 11.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 1.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.052 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo . . . . . 0 N--CA 1.493 1.5 0 CA-C-O 120.813 0.255 . . . . 1.0 112.045 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.652 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -48.77 -43.25 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.449 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -61.66 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.62 -57.92 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -33.29 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 38' ' ' VAL . 70.4 t -93.28 -12.6 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' MET . 20.8 t80 -80.62 -49.98 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -2.65 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.701 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 89.6 mt -125.46 0.1 7.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.487 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 7.88 4.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -149.94 18.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.714 0.292 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -128.39 -48.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.09 -7.8 32.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.674 -0.97 . . . . 1.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 13.1 m-80 -104.82 -32.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 1.0 110.518 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.43 6.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.93 -48.95 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.772 0.32 . . . . 1.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.6 t -61.41 -69.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.459 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -45.83 -26.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.628 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.2 t90 -81.32 -48.48 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -65.7 -43.78 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.0 -46.8 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.96 -14.55 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.587 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.628 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.7 4.15 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -120.02 -27.77 5.28 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.831 0.348 . . . . 1.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -37.24 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.595 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.38 -30.54 36.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 1.0 110.607 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -95.47 -25.45 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.304 . . . . 1.0 110.413 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.62 -17.72 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -50.09 -21.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.56 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -89.98 -43.32 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' TYR . 31.7 t -55.79 -45.15 78.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.0 -28.88 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -34.35 28.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.62 -5.7 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' SER . 20.7 t80 -71.34 -44.0 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.607 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -67.14 -17.92 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -97.08 -50.06 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.598 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -43.72 -46.25 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.53 -31.89 48.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -47.01 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.605 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -84.34 12.97 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.94 4.17 86.22 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 1.87 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 1.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.638 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 35.3 Cg_exo . . . . . 0 N--CA 1.495 1.568 0 CA-C-O 120.876 0.282 . . . . 1.0 112.08 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.48 -67.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.38 -46.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -41.34 -52.61 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.57 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -50.84 -47.34 60.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.638 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 38' ' ' VAL . 39.1 t -73.21 -9.3 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -97.71 -33.73 11.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.678 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.29 -39.49 6.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -80.47 -39.17 28.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 1.0 110.148 179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -74.98 -52.99 6.49 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -64.19 2.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' GLY . 54.3 m -118.26 -33.05 4.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.575 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.52 -22.19 22.28 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.697 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -95.94 -53.1 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.81 81.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.62 -49.96 74.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 1.0 110.383 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.0 t -60.32 -69.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.475 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.3 mt -45.8 -28.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.478 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.4 t90 -77.74 -48.72 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -62.45 -47.54 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' A' ' 55' ' ' ARG . 78.5 t -58.77 -53.64 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.531 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.4 -11.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.505 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 5.6 mtp85 -108.46 -17.33 14.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.799 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -100.79 -25.49 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 1.0 110.523 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -104.54 -25.48 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.93 -28.94 53.4 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.8 -27.61 17.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.747 0.308 . . . . 1.0 110.481 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLN . 14.5 m-20 -108.73 -16.89 14.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -17.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' ASP . 6.7 pt20 -82.19 -30.1 31.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.8 p -78.72 -41.93 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.3 -39.2 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -32.46 73.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.0 mm-40 -91.97 -24.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.6 t80 -52.98 -39.0 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -68.45 -18.77 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.632 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -47.04 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -45.78 -54.17 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.599 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -52.56 -23.54 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.608 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.93 -50.72 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.609 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -85.85 11.28 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.84 6.72 77.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.37 1.54 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.293 . . . . 1.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.68 179.968 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.786 0.244 . . . . 1.0 112.093 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.63 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.99 -54.54 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.211 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -41.99 -63.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -64.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.803 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.32 -25.26 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.009 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.2 t -105.99 7.76 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.88 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.8 t80 -115.12 -22.92 9.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.02 1.27 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.69 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.32 -62.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.368 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.05 9.64 58.11 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.997 -0.62 . . . . 1.0 112.06 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 29.7 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.944 0.402 . . . . 1.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -135.2 -48.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.256 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.11 -0.15 38.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.25 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 1.0 110.633 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.13 67.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.77 -51.18 71.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -59.77 -68.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 49' ' ' VAL . 81.7 mt -45.59 -27.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.2 t90 -79.98 -48.19 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.644 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -65.07 -39.8 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.66 -46.09 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -14.38 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.96 3.51 18.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.96 -27.45 5.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.317 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -101.67 -33.08 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.15 -30.11 38.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 1.0 110.558 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.71 -29.95 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 27.1 p30 -92.05 -24.49 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.536 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 33.0 m-20 -56.49 -21.24 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.63 -28.67 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.545 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 83.6 p -71.86 -55.12 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.94 -24.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 m -84.37 -32.06 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.5 mm-40 -89.17 -17.49 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.36 -43.6 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.558 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.532 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 t -69.05 -16.85 63.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -102.92 -42.57 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.3 t90 -46.97 -44.23 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -49.31 -40.17 33.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.428 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.562 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.19 4.12 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.43 -8.85 80.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.53 43.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 1.0 110.314 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.076 -179.901 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 30.6 Cg_exo . . . . . 0 N--CA 1.495 1.584 0 CA-C-O 120.793 0.247 . . . . 1.0 112.017 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.75 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.25 -40.01 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -61.61 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.507 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -61.36 -54.42 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -47.38 -29.92 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.528 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.07 -24.63 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.7 t80 -75.47 -58.77 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.634 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.07 0.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 mt -97.74 -59.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.65 9.99 66.55 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.28 32.37 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 1.0 110.54 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -136.1 -52.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.37 -12.46 41.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.607 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -76.99 -53.62 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.848 0.356 . . . . 1.0 110.589 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.607 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -61.1 -53.9 41.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 tp -49.65 -50.6 42.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 17.7 t -60.91 -73.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.495 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -44.35 -25.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.3 t90 -80.98 -46.66 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.12 -40.9 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.446 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.25 -42.22 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -14.45 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -109.99 -13.71 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.757 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -29.24 12.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.823 0.344 . . . . 1.0 110.32 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -101.56 -25.72 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.96 -30.08 44.25 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 . . . . . 0 C--N 1.327 -0.396 0 CA-C-O 120.853 0.359 . . . . 1.0 110.554 -179.994 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.59 -35.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 83.3 m-20 -75.82 -35.71 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.59 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -28.88 64.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -96.91 -12.06 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -89.06 -46.24 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.86 -20.6 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -34.42 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.32 -18.41 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 25.0 t80 -58.09 -37.07 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -72.25 -12.56 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -47.03 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -47.46 -49.8 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -47.82 -32.03 5.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -91.18 -45.98 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -76.73 4.56 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.585 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.95 -7.87 80.12 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.7 43.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 1.0 110.241 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.02 -179.867 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.0 Cg_exo . . . . . 0 N--CA 1.495 1.561 0 CA-C-O 120.801 0.25 . . . . 1.0 111.992 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.27 -41.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.5 mmt -60.39 -55.41 33.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.557 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.17 -29.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.7 t -96.85 -13.64 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.7 t80 -82.38 -55.63 4.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -2.81 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 37' ' ' LEU . 89.2 mt -124.63 -5.01 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.47 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.25 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -152.55 26.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.95 -46.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.05 5.26 10.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 12.3 m-80 -103.39 -50.53 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 1.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.45 -47.05 72.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.53 -48.39 74.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.0 t -60.35 -71.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.531 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 49' ' ' VAL . 7.6 mt -41.5 -29.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 76.7 t90 -79.0 -50.83 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -59.42 -44.78 92.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 t -57.57 -51.72 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -25.62 10.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.525 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.61 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -91.93 -15.51 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -101.07 -20.84 15.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -11.44 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.294 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.72 -33.83 23.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.525 ' ND1' ' O ' ' A' ' 56' ' ' LYS . 6.1 p-80 . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 1.0 110.325 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.596 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.3 -26.91 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 1.0 110.539 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -91.29 -31.61 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -52.69 -28.39 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.567 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -91.51 -17.36 25.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -88.18 -39.65 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -48.38 -22.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.69 -33.93 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -92.08 -28.88 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.542 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -51.74 -30.12 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.4 p -81.74 -14.65 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.8 -53.52 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -40.16 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -57.38 -28.74 63.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 m -99.23 -33.82 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -90.67 12.77 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.54 8.48 79.74 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 21.27 17.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.688 0.28 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.942 -179.953 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.495 1.584 0 CA-C-O 120.789 0.246 . . . . 1.0 112.0 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.32 -63.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.69 -53.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.209 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -44.53 -52.15 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.414 179.795 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.85 -61.7 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.606 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.49 -5.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.6 t -121.25 -6.48 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.632 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' TYR . 79.2 t80 -106.33 -17.19 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.796 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -117.47 -16.03 10.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.88 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.842 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -113.46 -42.92 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.874 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.49 -0.41 82.19 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -135.34 23.01 3.46 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.777 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 16.8 m -130.68 -48.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.337 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.98 -4.04 41.98 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 1.7 m-80 -100.72 -57.74 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.64 -43.71 59.58 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 1.0 110.264 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.5 t -60.46 -67.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 78.3 mt -45.91 -28.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -78.99 -48.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.8 m -62.79 -43.86 97.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . 70.0 t -64.4 -50.11 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.53 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.1 m-85 -49.3 -12.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.494 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 53' ' ' VAL . 7.3 mtp85 -103.95 -21.81 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 ptmm? -94.5 -29.38 14.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -100.78 -13.47 18.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.72 -32.56 24.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 1.0 110.536 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.572 0 N-CA-C 111.159 -0.776 . . . . 1.0 111.159 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.23 -20.6 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 1.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -101.5 -20.22 15.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.508 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.99 -32.74 73.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -101.49 3.03 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' TYR . 3.4 p -101.81 -37.4 8.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.78 -26.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 t -92.06 -28.82 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' A' ' 24' ' ' TRP . 32.8 tt0 -91.62 -9.52 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.23 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.5 t80 -47.04 -35.65 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 p -74.49 -21.61 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.978 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.73 -57.22 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.115 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.35 -40.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.197 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 27.5 tttt -45.48 -38.72 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 1.0 110.574 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.6 t -109.11 -37.23 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 25.3 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.711 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -125.4 28.63 4.99 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.724 -0.95 . . . . 1.0 110.724 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.34 15.32 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.722 0.296 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.887 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 31.5 Cg_exo . . . . . 0 N--CA 1.495 1.572 0 CA-C-O 120.779 0.241 . . . . 1.0 112.092 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.93 -70.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.07 -46.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -42.43 -56.09 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.003 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.6 mmt -55.19 -58.31 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.215 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.1 tp -47.65 -41.55 22.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.31 -22.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.031 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' TYR . 28.3 t80 -78.25 -59.49 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 1.0 110.704 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.2 0.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.6 mt -95.33 -74.01 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.3 13.66 64.52 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.451 -0.659 . . . . 1.0 111.451 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.7 26.64 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 1.0 110.571 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -129.44 -50.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.2 2.62 29.78 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -118.82 -66.24 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.851 0.357 . . . . 1.0 110.523 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -59.68 -51.27 60.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp -49.96 -46.94 52.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.678 0.275 . . . . 1.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.47 -61.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.34 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.51 -23.3 57.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.6 t90 -84.04 -40.02 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -74.5 -49.0 23.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -56.09 -35.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.517 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.78 -15.06 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.545 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.623 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 1.5 mtp85 -106.22 6.07 30.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.717 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -24.81 8.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.317 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -100.48 -30.66 11.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.48 -36.55 7.98 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 . . . . . 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 1.0 110.542 -179.963 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.607 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.98 -23.13 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.528 179.958 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -109.4 -14.11 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.11 -21.82 48.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.91 -12.62 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 19' ' ' CYS . 17.6 p -95.18 -39.87 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.64 -5.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.3 t -100.94 -39.6 7.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.94 -13.97 37.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.439 ' C ' ' H ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -69.41 -42.14 75.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.11 13.06 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 21' ' ' TYR . 31.9 m-20 -137.15 -35.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.542 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.93 -35.65 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.543 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -52.65 -36.62 57.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -43.5 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.563 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 m -87.31 21.13 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.44 -4.39 87.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.16 31.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 1.0 110.564 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 179.965 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 9.9 Cg_endo . . . . . 0 N--CA 1.495 1.56 0 CA-C-O 120.83 0.263 . . . . 1.0 112.099 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.9 -67.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.74 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.19 -45.82 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -52.31 -61.31 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.52 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.38 -59.09 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.586 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 tp -48.18 -27.86 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.03 -19.02 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' A' ' 41' ' ' LEU . 15.5 t80 -83.37 -56.88 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -65.54 0.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -98.32 -60.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.79 3.9 83.27 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 36.69 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 50.9 m -136.32 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 -23.38 10.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 1.0 110.502 179.883 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.51 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.68 -51.15 31.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.24 -43.86 83.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 1.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 t -59.83 -60.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.318 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.73 -27.03 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.9 t90 -79.3 -48.2 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.672 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.16 -42.4 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' LYS . 59.0 t -59.9 -43.19 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -35.64 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.631 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.0 mtm-85 -84.42 -6.74 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.671 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -18.15 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 1.0 109.904 179.601 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.7 OUTLIER -108.31 -34.29 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.63 -25.36 65.37 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 . . . . . 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.674 -179.94 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.594 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.99 -27.96 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 1.0 110.547 179.992 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.31 -28.02 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -27.21 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 6.5 pt20 -95.52 -16.19 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -79.19 -39.79 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -45.6 -39.33 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.51 -30.41 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.539 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.452 ' N ' ' CD ' ' A' ' 20' ' ' GLU . 5.5 mp0 -90.76 -26.16 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.525 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -59.29 -25.27 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -88.85 -49.07 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.1 t90 -41.66 -57.26 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 15.0 tttp -47.3 -28.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -90.41 -49.04 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.3 3.29 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.64 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.1 -7.55 80.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.59 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 1.0 110.296 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.009 -179.883 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_exo . . . . . 0 N--CA 1.496 1.619 0 CA-C-O 120.802 0.251 . . . . 1.0 111.989 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -67.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.92 -40.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.57 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -58.39 -55.64 32.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -46.92 -33.11 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.1 t -93.06 -12.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' MET . 11.3 t80 -82.31 -53.7 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -0.93 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.725 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 92.2 mt -126.07 -4.36 6.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.447 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.82 6.76 6.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 11.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 1.0 110.646 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -122.12 -34.73 3.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.55 23.93 4.2 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 14.0 m-80 -135.87 -44.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 1.0 110.485 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.98 37.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.79 -50.83 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 1.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' LEU . 21.0 t -58.73 -68.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 mt -44.28 -29.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.515 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -79.79 -45.14 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.3 m -66.38 -45.86 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.67 -46.15 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -18.67 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.506 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -96.29 -10.06 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 -28.61 10.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.301 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -23.0 22.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.49 -28.27 57.86 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.666 179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.609 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.77 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.816 0.341 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 30.6 p30 -95.5 -27.6 15.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 3.2 m-80 -51.6 -26.95 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.8 pt20 -92.58 -38.16 12.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 21' ' ' TYR . 7.0 p -61.26 -39.11 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 8.8 mt-10 -41.38 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -41.07 -26.92 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.576 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -86.38 -35.28 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' GLU . 22.0 t80 -51.58 -31.91 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.577 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -77.73 -18.3 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 -54.99 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -47.99 5.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -48.8 -32.13 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.665 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -94.56 -42.43 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -76.0 5.62 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.6 -9.87 77.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.44 43.3 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 1.0 110.332 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.923 -179.972 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 N--CA 1.495 1.569 0 CA-C-O 120.836 0.265 . . . . 1.0 112.052 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.62 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.554 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.97 -54.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.243 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -42.28 -64.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.253 179.723 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -64.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -52.3 -25.65 10.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.929 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.7 t -106.13 7.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.035 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.4 t80 -113.93 -25.24 8.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -102.99 1.93 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.4 mt -101.64 -61.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.439 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.85 7.35 57.38 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 121.047 -0.597 . . . . 1.0 112.034 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 28.46 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -136.52 -46.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.55 -6.11 53.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -87.46 -48.98 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.33 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.598 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.62 -51.82 44.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -51.64 -51.2 57.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.8 t -59.93 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -43.69 -29.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -76.84 -47.37 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.6 m -61.92 -52.12 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.462 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' LYS . 7.1 t -51.77 -52.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.0 -30.84 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 1.0 110.244 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.665 ' HE ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -80.78 -18.43 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.258 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -102.96 -18.07 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.437 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -108.71 -13.09 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.03 -31.57 25.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m80 . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 1.0 110.562 -179.981 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.599 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.27 -28.06 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 1.0 110.574 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.26 -23.73 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -58.55 -29.27 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -103.08 24.04 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -128.6 -39.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -55.47 -20.7 13.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.607 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.5 m -86.08 -31.93 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -92.0 -19.71 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -50.63 -33.26 21.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -79.75 -15.21 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -54.83 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.21 -45.16 5.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.721 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -47.47 -33.09 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -99.34 -43.21 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -94.34 31.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.538 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.64 23.78 4.44 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.75 13.21 5.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 1.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.713 179.91 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 14.0 Cg_endo . . . . . 0 N--CA 1.486 1.042 0 CA-C-O 120.799 0.25 . . . . 1.0 112.135 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.04 -61.74 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.446 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.22 -48.25 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.301 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.64 -46.05 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.094 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.457 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -70.96 -58.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.539 179.688 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 tp -47.39 -36.28 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 t -82.38 -31.06 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.993 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.1 t80 -70.39 -60.02 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.818 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.87 0.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.709 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -94.25 -69.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.48 7.97 80.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -129.49 34.53 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 1.0 110.541 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 m -137.33 -51.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.405 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.48 -11.13 39.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.588 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.98 -54.5 5.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 1.0 110.533 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.588 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.01 -49.22 77.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 tp -54.86 -51.65 65.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 1.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.7 t -58.97 -70.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.481 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.1 mt -45.36 -29.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 77.4 t90 -78.49 -44.17 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -69.47 -55.5 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.261 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -48.41 -48.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.353 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -53.86 -53.7 48.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.31 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.611 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 3.8 mtp85 -68.06 -20.3 64.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.163 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -76.14 -53.25 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.382 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.94 -18.92 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.88 -31.03 45.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.09 -22.1 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.325 . . . . 1.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -109.07 -16.1 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -24.78 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.539 HE21 ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -79.92 -23.29 41.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.631 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -82.51 -53.12 6.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.604 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.7 m -74.36 -33.37 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' SER . 9.2 mt-10 -96.85 -13.72 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -56.12 -33.69 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -74.96 -16.56 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -50.02 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -43.61 -52.23 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.537 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -47.14 -27.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -45.84 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 m -82.94 13.27 4.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -87.12 -8.07 76.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 1.0 110.183 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.047 -179.781 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 26.0 Cg_exo . . . . . 0 N--CA 1.495 1.567 0 CA-C-O 120.813 0.256 . . . . 1.0 111.976 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -67.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.68 -28.4 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.395 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -69.6 -48.58 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.551 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -48.76 -62.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.64 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.8 tp -50.4 -40.52 50.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.343 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.9 t -80.52 -5.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.637 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -100.91 -29.73 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.729 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -97.08 -16.74 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.997 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -107.08 -29.62 9.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.833 0.349 . . . . 1.0 110.284 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.34 -1.64 60.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.98 26.49 3.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 1.0 110.772 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -133.18 -48.74 0.85 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.47 -2.52 43.99 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -94.46 -51.78 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.662 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.23 -45.92 94.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.77 -47.6 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.324 . . . . 1.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.5 t -61.39 -70.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.489 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.75 -31.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.533 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.4 t90 -75.29 -50.92 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -63.52 -40.65 97.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.2 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.682 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -14.73 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.6 5.83 21.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.89 -28.41 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.33 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -100.93 -32.23 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.93 -30.48 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 1.0 110.568 -179.961 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.568 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.38 -26.44 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 1.0 110.685 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 20.0 p-10 -93.04 -32.86 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -47.02 -31.89 3.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -85.54 -35.38 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' TYR . 9.5 p -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.3 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.612 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.0 m -51.56 -29.42 17.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.645 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.477 ' O ' ' CG ' ' A' ' 20' ' ' GLU . 3.9 tt0 -99.45 19.0 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' SER . 47.6 t80 -86.77 -39.4 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.376 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -68.75 -12.96 62.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.75 -47.88 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.34 -46.24 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.926 -179.688 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.6 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 17.9 ttpt -45.94 -35.8 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.626 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -100.88 -42.43 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.769 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 p -96.44 32.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.584 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.52 28.74 2.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.78 9.65 3.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 1.0 110.606 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.762 -179.931 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.4 Cg_exo . . . . . 0 N--CA 1.495 1.604 0 CA-C-O 120.797 0.249 . . . . 1.0 112.254 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.89 -66.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.617 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -40.12 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.155 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -50.9 -56.24 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.688 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 mmt -46.09 -61.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.654 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.83 -31.06 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.0 t -96.82 -6.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.498 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 43' ' ' THR . 16.9 t80 -90.62 -59.0 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -5.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.752 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.1 mt -123.6 -5.98 8.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.545 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -138.75 17.29 3.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.727 ' O ' HG22 ' A' ' 43' ' ' THR . 88.1 m -158.26 19.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.593 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.3 -49.24 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.085 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.56 -2.21 30.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.562 -1.015 . . . . 1.0 110.562 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.6 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.55 -54.04 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 1.0 110.512 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.6 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.66 -57.56 12.3 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -45.69 -48.3 15.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.675 0.274 . . . . 1.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.6 t -62.67 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.2 mt -53.79 -21.41 7.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.507 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLY . 77.2 t90 -83.99 -43.78 14.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.462 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -70.3 -49.55 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.66 -43.6 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.73 -16.19 37.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -104.69 -5.82 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.714 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -27.17 10.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.446 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -102.65 -29.23 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.599 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.26 -29.06 34.6 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 . . . . . 0 C--N 1.327 -0.403 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 -179.807 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.628 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.7 -29.24 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.57 -27.94 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.529 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -24.47 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -101.31 -15.96 17.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.615 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' TYR . 6.9 t -83.04 -38.02 23.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' TYR . 56.1 mt-10 -56.03 -67.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.502 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -42.27 -29.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.0 -27.43 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.3 t80 -50.91 -30.03 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -81.89 -16.8 49.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -98.53 -54.12 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.575 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -44.49 -42.69 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.615 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -48.85 -31.58 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -102.08 -42.6 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.66 30.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -129.24 25.01 4.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.32 17.34 3.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.666 0.27 . . . . 1.0 110.547 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.826 179.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 120.768 0.237 . . . . 1.0 112.039 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.89 -69.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.74 -43.01 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.098 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -56.82 -63.27 1.26 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.383 179.82 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -43.88 -57.8 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.536 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 tp -49.52 -43.69 45.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 38' ' ' VAL . 97.3 t -86.09 0.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.819 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.6 t80 -98.45 -32.36 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.423 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.8 -25.58 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -105.57 -30.46 9.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.44 -0.2 79.89 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.97 17.85 3.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.614 0.245 . . . . 1.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.5 m -129.07 -44.14 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.572 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.33 -1.44 47.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -99.2 -48.29 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 1.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.87 -51.29 35.67 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.39 -49.04 62.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.308 . . . . 1.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.0 t -59.7 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.495 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.91 -31.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -77.05 -50.9 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 29.5 t -61.91 -51.63 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -50.07 -10.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.2 mtp85 -107.79 -18.43 13.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.797 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.14 -27.65 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.394 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -102.62 -26.09 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.19 -29.3 50.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 1.0 110.624 -179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 -22.87 12.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 1.0 110.323 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -103.3 -17.38 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.225 179.801 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.06 -29.29 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.511 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 9.43 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' TYR . 21.0 p -122.49 -52.37 1.93 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.516 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.07 -25.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.523 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t -85.6 -34.95 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.695 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' TRP . 3.3 mm-40 -94.09 -2.93 52.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.239 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' SER . 30.9 t80 -48.15 -30.75 4.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.75 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.6 p -78.57 -22.36 47.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.661 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -101.83 -57.64 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.77 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -39.95 -42.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.835 -179.867 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 10.7 ttpt -49.91 -37.61 32.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.7 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 74.2 m -98.26 -42.27 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -102.92 48.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.6 3.63 3.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.72 34.05 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 1.0 110.316 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp . . . . . 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.033 -179.928 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.2 Cg_exo . . . . . 0 N--CA 1.495 1.574 0 CA-C-O 120.803 0.251 . . . . 1.0 112.038 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -69.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 mt -57.81 -47.66 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.144 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -55.84 3.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.13 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -63.16 -51.14 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.371 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.8 tp -49.74 -39.82 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.383 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.6 -20.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.956 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -77.67 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.761 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.03 -9.08 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -81.64 -59.01 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -68.82 -55.0 12.02 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' HG22 ' A' ' 43' ' ' THR . 12.9 m -47.79 -12.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.669 -0.312 . . . . 1.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.3 m -109.69 -26.61 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -114.96 17.01 17.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -139.86 -46.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.35 -179.926 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.578 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -67.86 -50.84 38.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.22 -52.62 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 1.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.0 t -60.52 -68.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.468 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.1 mt -49.53 -24.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLY . 74.7 t90 -79.81 -41.02 27.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.457 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -69.36 -49.5 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.42 -45.71 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.488 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -21.57 15.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.419 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 7.3 mtp85 -96.96 -5.35 38.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.695 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 -19.84 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -23.36 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.385 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.93 -27.86 59.75 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 1.0 110.538 -179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.477 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.97 -22.68 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.761 0.315 . . . . 1.0 110.438 179.848 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.01 -16.01 16.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.21 -27.82 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.71 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -92.04 -32.03 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' TYR . 37.1 m -80.16 -36.38 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' TYR . 5.4 mt-10 -41.61 -71.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -43.05 -36.33 1.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.73 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.34 34.73 3.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.773 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.9 t80 -98.49 -44.39 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.311 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -66.43 -11.35 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.93 -52.3 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.589 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -40.68 -42.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.783 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -46.84 -37.4 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -13.95 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' ASP . 19.9 m -111.21 20.21 17.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.9 -10.3 75.89 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.72 41.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.0 110.323 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.952 -179.834 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo . . . . . 0 N--CA 1.494 1.538 0 CA-C-O 120.786 0.244 . . . . 1.0 111.938 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mm -52.09 -52.86 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.366 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -41.69 -55.24 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.26 179.885 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.44 ' SD ' ' N ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -53.29 -65.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.695 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.96 -179.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.5 t -116.07 8.62 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' TYR . 75.7 t80 -122.7 -16.83 7.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.014 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.64 0.48 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.692 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.13 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.98 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.96 4.53 65.59 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.104 -0.57 . . . . 1.0 111.689 -179.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.31 31.53 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.844 0.354 . . . . 1.0 110.64 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -131.84 -42.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.24 179.704 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.0 17.59 5.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -123.37 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.344 . . . . 1.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.72 -49.41 76.52 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 tp -49.98 -51.71 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.8 t -59.2 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.4 mt -46.83 -27.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -78.77 -45.38 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' LYS . 15.5 m -66.66 -51.54 54.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -53.69 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.42 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -49.06 -46.17 44.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.462 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.609 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -77.04 -26.78 54.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.494 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.6 tptm -63.27 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -84.33 -13.55 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.23 -30.45 37.5 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 1.0 110.588 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.509 0 N-CA-C 110.51 -1.036 . . . . 1.0 110.51 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.18 -22.12 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 1.0 110.355 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -107.11 -17.75 14.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.84 -27.33 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -87.11 -5.99 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 52.7 p -91.55 -60.13 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.598 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OG ' ' A' ' 17' ' ' SER . 8.5 mt-10 -45.62 -52.44 10.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -54.81 -30.08 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -91.77 -11.72 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.16 -61.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 p -53.69 -16.47 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -48.03 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.29 -48.74 9.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.568 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -48.01 -28.78 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.57 -41.22 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 m -78.27 6.05 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -88.45 3.82 85.25 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.75 37.5 2.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 1.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.975 -179.953 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 27.6 Cg_exo . . . . . 0 N--CA 1.494 1.517 0 CA-C-O 120.82 0.258 . . . . 1.0 112.049 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.61 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.93 -55.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -49.22 4.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.35 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.0 mmt -69.34 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.605 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HA ' HD21 ' A' ' 40' ' ' LEU . 1.4 tp -46.94 -14.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.707 -179.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' MET . 24.1 t -104.38 -21.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.678 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' MET . 71.6 t80 -95.64 -12.21 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.778 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -103.9 -6.18 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 1.0 110.203 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.7 -46.47 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.47 2.82 59.23 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.1 -0.572 . . . . 1.0 111.711 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -131.5 27.2 4.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 1.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 36.1 m -131.16 -48.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.11 -5.86 32.46 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -101.69 -56.23 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 1.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.63 -45.44 93.26 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.53 -48.57 78.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 1.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.78 -70.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.485 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.7 mt -42.59 -30.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.3 t90 -76.07 -50.64 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.87 -41.6 97.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.476 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.38 -45.68 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.696 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -14.7 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.619 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.67 5.52 21.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -27.16 5.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.324 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -34.71 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.07 39.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.0 110.573 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.618 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.68 -27.81 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 1.0 110.532 179.945 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.6 -24.41 17.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -25.44 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -91.69 -26.05 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -50.56 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -48.33 -27.63 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -92.49 -17.06 25.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 28.2 t80 -69.23 -48.22 62.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.514 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -59.61 -15.22 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -47.87 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.7 t90 -44.68 -41.85 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -49.97 -36.09 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -43.89 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -69.83 -11.08 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.602 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -82.74 5.63 73.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.95 -3.87 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 1.0 110.617 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.725 179.998 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo . . . . . 0 N--CA 1.494 1.534 0 CA-C-O 120.804 0.252 . . . . 1.0 111.986 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.49 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.549 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.6 -42.98 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -57.75 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.552 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.78 -26.66 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.32 -21.6 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.601 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' THR . 28.5 t80 -79.85 -58.07 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.38 1.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.46 -65.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.91 11.78 71.34 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.106 -0.798 . . . . 1.0 111.106 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.82 31.71 3.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.833 0.349 . . . . 1.0 110.553 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -135.07 -50.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.427 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.97 -12.44 31.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.614 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.73 -54.15 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 1.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.614 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.69 -47.31 90.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.28 -45.32 91.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.734 0.302 . . . . 1.0 110.413 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -64.17 -69.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.458 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.473 ' N ' HG12 ' A' ' 49' ' ' VAL . 97.1 mt -41.73 -33.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.264 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 79.7 t90 -70.61 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.794 179.545 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -53.45 -50.77 64.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.367 179.522 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.51 -45.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -31.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 1.1 mmt180 -91.63 -30.39 16.37 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.223 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -59.3 -57.87 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -81.93 -25.05 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.83 -25.83 72.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m170 . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 1.0 110.514 -179.963 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.575 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.11 -27.15 17.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 1.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.37 -12.41 14.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -13.58 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.79 -10.53 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.628 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -98.02 -51.15 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.63 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -48.91 -12.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -86.37 -35.65 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.24 -37.71 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.4 t80 -51.03 -33.57 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.05 13.26 4.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' SER . 10.5 m-20 -136.18 -29.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.412 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.11 -53.43 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.353 179.846 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 14.5 ttpt -47.87 -37.34 13.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.989 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -101.19 -8.63 22.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.139 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.531 ' N ' ' O ' ' A' ' 23' ' ' ASP . 23.0 t 51.78 50.93 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.057 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.9 -4.07 54.56 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.57 16.06 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp . . . . . 0 CA--C 1.53 0.208 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.068 -179.598 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 16.4 Cg_exo . . . . . 0 N--CA 1.493 1.474 0 CA-C-O 120.88 0.283 . . . . 1.0 112.009 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -71.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.65 -45.83 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.3 mmt -56.66 -55.51 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.7 tp -48.04 -30.17 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.62 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.9 t -96.81 -9.95 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.707 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' MET . 15.6 t80 -89.02 -57.56 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.636 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 1.02 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.696 -179.842 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 37' ' ' LEU . 95.7 mt -124.85 -28.57 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.36 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.55 0.42 58.18 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -135.07 17.58 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.691 0.282 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -127.71 -46.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.221 179.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.43 17.92 23.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 41.3 m-80 -133.82 -62.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 1.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.87 62.34 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.05 -52.93 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.778 0.323 . . . . 1.0 110.327 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.03 -60.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.527 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.54 -23.7 28.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.2 t90 -82.64 -44.79 15.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -71.72 -47.57 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.473 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.92 -35.06 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.29 -17.69 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.3 mtm-85 -107.18 -4.24 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.741 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -29.09 10.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -101.54 -25.69 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.03 -32.92 25.03 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 110.644 -179.883 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.584 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.08 -31.24 5.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.4 p-10 -96.35 -27.45 14.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.621 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.37 -21.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 14' ' ' ASP . 8.6 pt20 -90.96 -25.87 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ASP . 8.9 t -71.42 -43.06 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.09 -15.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.425 ' N ' ' C ' ' A' ' 17' ' ' SER . 74.1 m -68.54 -27.29 65.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.606 -179.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.9 mm-40 -91.2 -6.59 53.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 35.3 t80 -49.21 -28.73 4.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.68 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -80.54 -20.84 42.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.707 -179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.0 m-20 -105.74 -57.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -37.98 -33.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.139 -179.904 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 32.6 tttm -50.07 -42.15 49.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.586 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -111.36 -35.3 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 m -108.84 48.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.964 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.476 ' O ' ' CD ' ' A' ' 32' ' ' PRO . . . -129.3 -5.64 4.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.51 26.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 1.0 110.522 179.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.286 -179.937 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.476 ' CD ' ' O ' ' A' ' 28' ' ' GLY . 87.9 Cg_exo . . . . . 0 N--CA 1.493 1.457 0 CA-C-O 120.714 0.214 . . . . 1.0 112.304 . . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -64.94 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.305 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -66.27 -26.24 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.192 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -68.92 -56.86 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.313 179.811 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.416 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.62 -61.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.29 -38.82 54.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.3 t -88.65 2.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' TYR . 36.3 t80 -97.29 -55.76 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.568 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 36' ' ' MET . 0.3 OUTLIER -72.75 -5.74 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 83.3 mt -123.45 -12.29 7.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.549 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.73 -6.22 6.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 3.0 m -136.68 32.04 2.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -128.93 -47.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.063 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.36 15.41 6.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.346 -1.102 . . . . 1.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 44.5 m-80 -123.72 -59.47 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 1.0 110.592 -179.793 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 -49.96 67.83 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.48 -50.17 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 1.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.96 -70.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.497 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.467 ' N ' HG12 ' A' ' 49' ' ' VAL . 95.2 mt -44.11 -27.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.464 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.54 -48.21 13.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.561 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.08 -43.05 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.7 t -59.89 -46.5 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.9 -16.02 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mtm-85 -107.93 4.75 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.709 -179.76 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 -25.53 5.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -103.39 -23.95 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.41 -29.71 48.26 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.0 m170 . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 1.0 110.536 -179.936 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.75 -30.0 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 1.0 110.315 179.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.1 m-20 -101.78 -24.31 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -48.59 -20.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.14 -26.01 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.0 p -70.74 -40.42 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.527 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -42.05 -24.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -82.67 -36.76 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.9 mm-40 -99.32 2.29 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.6 t80 -75.44 -66.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p -49.15 -21.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -48.05 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.512 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -45.44 -50.46 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -47.3 -25.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.578 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -101.76 -45.26 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -87.77 22.8 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.41 33.83 2.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.05 3.77 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 1.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.808 179.999 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo . . . . . 0 N--CA 1.494 1.527 0 CA-C-O 120.801 0.25 . . . . 1.0 112.08 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.95 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.51 -52.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -41.51 -58.05 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.427 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -51.21 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.637 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.48 -13.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.654 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 38' ' ' VAL . 93.6 t -116.91 5.39 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.645 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 52.1 t80 -119.04 -13.62 9.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.758 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.1 pp -122.14 -18.14 6.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -112.06 -45.82 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.736 179.85 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.66 -0.98 85.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 43' ' ' THR . 85.0 m -131.31 19.96 4.83 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.768 0.318 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 91.9 m -125.23 -37.1 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.454 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.26 23.03 4.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -135.26 -43.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 1.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -43.07 39.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.27 -49.58 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.2 t -60.67 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.1 mt -42.14 -26.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.636 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.0 t90 -83.46 -47.94 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.629 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.46 -43.98 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.51 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.9 -48.66 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.671 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.24 -16.73 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.636 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.8 mtm-85 -103.84 -9.65 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.646 -179.841 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -105.81 -24.27 12.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.114 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -97.74 -19.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.707 179.36 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.42 -47.18 92.13 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 109.81 -1.316 . . . . 1.0 109.81 179.221 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.378 . . . . 1.0 110.283 179.648 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.634 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.35 -28.05 16.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.832 0.348 . . . . 1.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.99 -15.56 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.288 179.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -20.37 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.479 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -100.51 -1.22 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 19' ' ' CYS . 17.8 p -98.38 -37.85 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -46.72 -18.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 17' ' ' SER . 31.3 t -75.49 -40.98 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.59 -7.95 30.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 32.0 t80 -54.08 -30.63 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.679 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 4.92 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -125.85 -56.15 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.314 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.66 -36.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.784 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 47.0 tttp -46.49 -39.11 10.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -110.28 -36.38 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -96.55 31.08 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.39 28.21 3.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.91 11.1 5.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 1.0 110.798 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.832 179.908 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.469 ' O ' ' SD ' ' A' ' 36' ' ' MET . 49.4 Cg_exo . . . . . 0 N--CA 1.495 1.577 0 CA-C-O 120.742 0.226 . . . . 1.0 112.428 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -69.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.475 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -35.97 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.966 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.33 -61.31 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.657 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -40.89 -52.08 3.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.73 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -35.25 72.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.642 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 38' ' ' VAL . 88.8 t -95.65 0.75 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' TYR . 10.3 t80 -95.64 -59.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.55 -9.1 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.4 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.15 -59.65 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.843 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -80.29 -48.24 6.5 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -51.96 -6.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.939 -0.304 . . . . 1.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 42' ' ' GLY . 1.8 m -107.07 -29.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.428 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.473 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . -126.2 25.55 5.44 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.7 m-80 -153.78 -52.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 1.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.12 -40.12 88.32 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.87 -55.73 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 t -58.32 -64.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.381 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -47.58 -30.42 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.341 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -79.46 -42.75 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -48.54 70.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.284 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.28 -45.6 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.472 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -64.74 -28.24 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.381 179.814 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.664 ' HE ' ' N ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.59 -11.99 56.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.572 179.795 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -32.13 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.731 -179.543 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -13.59 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.3 -53.4 2.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.909 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 1.0 110.68 -179.966 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.657 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . -108.18 -36.14 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.63 -26.02 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.475 179.87 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -15.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 13' ' ' ALA . 6.0 pt20 -100.99 -14.28 17.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' H ' ' A' ' 19' ' ' CYS . 43.9 t -98.3 -27.02 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -56.58 -5.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' A' ' 17' ' ' SER . 25.3 t -101.5 -35.45 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.97 -25.89 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.7 t80 -49.97 -35.77 25.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -75.15 -18.3 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.9 -53.49 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -45.42 -51.68 11.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.579 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -49.81 -22.8 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.14 -47.12 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -86.02 13.62 7.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.512 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -123.75 36.17 3.07 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.7 -2.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.284 . . . . 1.0 110.68 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.807 -179.93 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.0 Cg_exo . . . . . 0 N--CA 1.493 1.484 0 CA-C-O 120.829 0.262 . . . . 1.0 112.023 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -69.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.736 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.84 -47.96 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 1.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -47.27 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 1.2 tp -61.26 -36.93 81.35 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 38' ' ' VAL . 25.5 t -79.52 -9.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.93 0.395 . . . . 1.0 110.234 179.758 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -99.6 -53.41 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.76 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -86.74 -22.67 25.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.655 -179.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -115.71 23.06 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.208 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.01 -32.48 0.04 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.464 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -119.29 34.99 4.99 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.69 0.281 . . . . 1.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.6 m -140.31 -59.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.427 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.19 -15.24 65.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.588 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -67.88 -56.11 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 1.0 110.538 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.73 -51.77 57.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.05 -46.42 53.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.218 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.14 -58.84 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 90.9 mt -60.12 -10.99 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.506 179.806 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' NH1' ' A' ' 55' ' ' ARG . 27.8 t90 -99.85 -37.43 9.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 m -81.05 -42.34 21.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.452 . . . . 1.0 109.84 179.287 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.74 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.108 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -58.27 -23.54 56.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.57 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 21.8 mtt180 -94.23 -22.28 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -91.89 -27.33 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.483 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -104.19 -8.83 19.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.402 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.64 -32.3 11.66 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 1.0 110.593 179.945 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.39 -28.19 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 1.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.05 -37.55 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -34.67 42.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -96.57 6.02 49.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.519 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' TYR . 4.2 t -103.18 -46.66 4.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -39.56 -57.63 1.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -55.22 -28.93 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' SER . 19.1 mm-40 -110.08 15.54 22.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.8 t80 -78.01 -53.08 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 1.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 p -56.87 -14.5 3.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.404 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -52.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -39.24 -41.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.073 -179.765 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -44.0 -38.24 3.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.58 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -110.91 -36.75 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 t -91.74 18.08 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.481 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -81.06 -3.36 90.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.72 -7.62 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.695 0.284 . . . . 1.0 110.76 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--N 1.332 -0.186 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.214 -179.717 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.456 ' CG ' ' O ' ' A' ' 28' ' ' GLY . 41.7 Cg_exo . . . . . 0 N--CA 1.494 1.537 0 CA-C-O 120.842 0.268 . . . . 1.0 112.136 . . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.95 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.233 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.45 -45.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 1.0 109.934 179.469 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -42.34 -52.09 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.027 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -47.7 -63.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.28 179.717 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.4 tp -51.96 -41.78 62.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.352 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 38' ' ' VAL . 84.2 t -80.67 -2.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.95 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 35' ' ' TYR . 78.0 t80 -105.17 -33.35 8.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.546 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.12 -2.88 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -123.74 -30.71 3.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.096 179.623 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -2.99 59.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.07 22.16 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 m -123.44 -37.88 2.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.441 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.51 19.06 4.56 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 15.0 m-80 -126.24 -47.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 1.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.75 -48.54 8.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.05 -41.78 88.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 1.0 110.333 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.76 -62.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 46' ' ' ASN . 8.3 mt -51.99 -25.39 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 69.8 t90 -85.14 -48.53 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.635 -179.797 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -64.83 -39.49 93.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.503 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 t -63.16 -45.95 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -18.03 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.774 -179.84 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.1 mtm-85 -106.97 2.68 25.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.925 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -119.28 -25.62 6.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.223 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -102.6 -27.61 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.79 -34.62 27.17 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.591 -1.004 . . . . 1.0 110.591 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m80 . . . . . 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 1.0 110.601 -179.995 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.576 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.08 -25.36 13.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.927 0.394 . . . . 1.0 110.287 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.95 -18.58 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.138 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -33.49 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 16.36 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.3 p -116.25 -54.23 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' OG ' ' A' ' 17' ' ' SER . 55.2 mt-10 -62.78 -43.87 97.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -71.08 -33.53 70.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.695 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -102.64 11.77 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.77 -179.852 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -76.1 -49.73 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.535 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -61.3 -25.33 67.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.52 -45.64 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.757 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -43.44 -52.61 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.8 -179.875 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -42.1 -26.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.562 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 t -106.13 -42.97 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 29' ' ' ALA . 17.2 m -76.83 0.45 20.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -55.9 -5.68 1.03 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -98.54 1.91 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.778 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.942 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo . . . . . 0 N--CA 1.495 1.573 0 CA-C-O 120.72 0.217 . . . . 1.0 112.034 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -64.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.13 -47.52 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -43.57 -52.51 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.6 mmt -50.38 -66.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.666 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.54 -23.16 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.0 -179.643 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 38' ' ' VAL . 69.2 t -107.29 9.49 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.096 -179.785 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 35' ' ' TYR . 89.6 t80 -120.81 -25.51 5.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.7 -0.31 18.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.754 -179.843 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -131.27 -37.57 1.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.53 179.747 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.81 -6.12 60.81 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.453 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.18 27.65 2.87 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.8 m -136.96 -52.43 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.378 179.794 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.31 -7.22 59.51 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.7 -51.97 6.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 1.0 110.556 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.12 -48.78 44.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.13 -49.38 69.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 1.0 110.386 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.78 -69.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -46.52 -22.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 72.0 t90 -85.15 -45.67 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -70.35 -44.82 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.67 -38.9 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.661 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.35 -15.6 63.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -109.5 0.17 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.113 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -29.38 7.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.334 179.668 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -98.25 -29.53 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.81 -37.56 6.38 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 -179.741 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.73 -34.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -82.12 -35.6 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.548 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -28.14 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.1 -9.61 33.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' GLU . 28.3 p -87.49 -50.03 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -41.84 -27.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -75.51 -40.93 56.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.0 pt-20 -96.84 -0.46 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.658 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' SER . 37.1 t80 -69.48 -31.81 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.574 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -79.36 -16.15 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.56 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.578 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.19 -43.77 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -49.88 -34.07 19.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 t -97.51 -35.04 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -90.78 15.49 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.08 -9.29 77.25 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.91 43.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 1.0 110.249 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.971 -179.893 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo . . . . . 0 N--CA 1.494 1.526 0 CA-C-O 120.761 0.234 . . . . 1.0 111.999 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.9 -42.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -55.57 32.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.57 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.7 -58.17 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.13 -26.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.734 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.8 t -95.01 -24.71 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -76.8 -58.23 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.638 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.59 1.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.4 -66.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.658 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.87 12.16 70.22 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.77 32.07 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 1.0 110.589 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.8 -51.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.36 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.84 1.28 30.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.671 -0.971 . . . . 1.0 110.671 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -102.47 -61.39 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.01 56.55 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.89 -51.11 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.307 . . . . 1.0 110.278 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.4 t -60.27 -67.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 49' ' ' VAL . 74.3 mt -45.91 -26.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 67.9 t90 -82.87 -46.68 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -67.54 -45.49 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.14 -48.03 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.727 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -55.17 -18.75 6.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.678 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.7 mtm-85 -101.43 -9.23 21.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 -179.663 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -107.23 -23.96 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.406 . . . . 1.0 109.932 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -89.48 -27.35 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.751 179.44 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.3 -51.08 15.96 Favored Glycine 0 C--N 1.33 0.204 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.633 ' O ' ' CG ' ' A' ' 59' ' ' HIS . 42.8 t60 . . . . . 0 C--N 1.321 -0.644 0 CA-C-O 121.635 0.731 . . . . 1.0 109.914 179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.43 -27.72 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 1.0 110.655 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -89.32 -31.78 17.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.622 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -51.35 -28.01 11.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.596 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.3 25.18 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -136.89 -48.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.541 179.981 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.96 -20.96 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -101.44 -29.77 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.85 -16.67 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 1.2 t80 -67.79 -37.76 82.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -18.64 61.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.59 -55.78 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.65 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.82 -40.55 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -51.88 -37.07 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -97.85 -30.76 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -92.76 13.46 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.538 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.85 0.12 87.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.03 41.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 1.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.944 179.952 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo . . . . . 0 N--CA 1.494 1.503 0 CA-C-O 120.742 0.226 . . . . 1.0 112.111 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.2 -69.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.02 -47.28 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.138 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -52.77 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.427 179.831 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -56.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 42.2 tp -49.66 -32.02 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.409 -179.747 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 38' ' ' VAL . 68.8 t -97.08 -4.14 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 1.0 110.624 -179.429 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.4 t80 -90.31 -41.74 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.672 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.05 -18.88 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 41' ' ' LEU . 4.0 pp -111.94 -9.97 13.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.325 179.674 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 42' ' ' GLY . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -108.06 2.25 33.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -130.89 6.31 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.625 0.25 . . . . 1.0 110.59 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 4.1 t -118.53 -38.06 3.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -115.06 9.93 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.632 -0.987 . . . . 1.0 110.632 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -134.29 -50.64 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 1.0 110.44 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 51' ' ' TRP . . . -59.38 -50.41 68.03 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -48.82 -52.11 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 1.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.5 t -60.55 -68.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HG12 ' A' ' 49' ' ' VAL . 84.1 mt -49.19 -22.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 51' ' ' TRP . . . . . 0.407 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 73.8 t90 -84.49 -43.99 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -67.98 -43.38 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.461 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.2 t -64.59 -50.81 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.57 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -48.88 -13.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.461 179.883 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 53' ' ' VAL . 8.6 mtp85 -103.05 -22.06 13.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.666 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.2 ptmt -94.44 -28.71 15.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.441 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -101.42 -12.09 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.35 -33.51 19.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 38.9 mtm . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.395 -0.595 . . . . 1.0 109.395 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -143.32 89.04 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.411 ' O ' ' CE1' ' A' ' 7' ' ' PHE . 3.8 mt-10 -54.37 160.94 1.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.556 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 74.85 112.16 0.09 OUTLIER Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.02 49.25 2.5 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -172.57 58.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.762 0.315 . . . . 1.0 110.555 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.411 ' CE1' ' O ' ' A' ' 3' ' ' GLU . 2.2 m-85 -101.53 120.61 40.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.635 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.416 ' O ' ' O ' ' A' ' 9' ' ' ASN . 2.6 t70 -85.89 -42.21 14.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.561 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.609 ' ND2' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER 45.22 -171.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.551 179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.609 ' N ' ' ND2' ' A' ' 9' ' ' ASN . 0.0 OUTLIER 55.53 116.52 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.116 -0.493 . . . . 1.0 111.017 179.794 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 44.05 39.49 2.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.392 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -161.53 -29.48 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.411 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -95.21 -25.54 16.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.752 0.31 . . . . 1.0 110.455 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 40.9 m-20 -108.65 -17.54 13.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.477 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.408 ' OD1' ' OE2' ' A' ' 18' ' ' GLU . 6.8 t30 -50.6 -21.09 1.4 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.519 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -88.98 -25.68 21.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.553 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' O ' ' A' ' 14' ' ' ASP . 4.5 t -81.93 -28.4 32.81 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.554 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.408 ' OE2' ' OD1' ' A' ' 15' ' ' ASN . 8.0 pt-20 -52.82 -21.55 4.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.549 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 90.9 m -87.97 -30.11 20.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.569 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -89.13 -23.67 22.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.438 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 3.7 t80 -50.81 -35.37 31.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.586 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 46.8 p -74.91 -21.45 59.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.617 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -92.18 -55.16 3.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.508 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -45.33 -49.22 13.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.602 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.7 tttt -54.19 -24.38 18.0 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.55 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 34.5 m -94.26 -49.3 5.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.693 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.77 23.44 4.77 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.636 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -132.36 30.97 3.07 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.45 -18.55 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.679 0.276 . . . . 1.0 110.479 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.88 -12.06 3.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.121 -0.491 . . . . 1.0 111.129 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 4.2 mm -85.94 -35.35 0.51 Allowed Pre-proline 0 CA--C 1.533 0.313 0 CA-C-N 116.619 -0.264 . . . . 1.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.4 Cg_exo -60.31 -30.03 90.18 Favored 'Trans proline' 0 N--CA 1.494 1.524 0 C-N-CA 122.064 1.843 . . . . 1.0 112.025 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.41 -70.58 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.551 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.02 -50.36 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.276 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.7 OUTLIER -45.08 -57.6 3.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.459 179.961 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.426 ' O ' ' N ' ' A' ' 39' ' ' PHE . 12.0 mmt -61.12 -62.2 2.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.587 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.72 -21.41 0.19 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.597 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.403 ' N ' ' C ' ' A' ' 36' ' ' MET . 33.9 t -101.0 -24.9 3.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.68 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 29.6 t80 -78.45 -57.33 3.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.6 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.47 2.61 1.21 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.545 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.823 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.7 mt -100.61 -63.22 1.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.595 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.95 10.69 71.84 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 111.059 -0.816 . . . . 1.0 111.059 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.78 32.12 3.29 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.833 0.349 . . . . 1.0 110.615 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.99 -50.68 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.423 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.77 -13.42 29.8 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.604 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.84 -54.53 6.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.83 0.348 . . . . 1.0 110.496 179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.604 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -57.18 -47.64 86.07 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.2 tp -56.94 -50.38 72.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.323 . . . . 1.0 110.355 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.7 t -60.33 -69.71 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.565 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.5 mt -45.64 -28.61 1.02 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.534 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.0 t90 -78.46 -49.0 14.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.516 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 6.9 m -62.33 -46.94 86.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.54 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 41.3 t -61.0 -47.28 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.558 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.48 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.2 m-85 -53.71 -12.4 0.51 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.479 . . . . 1.0 110.504 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 7.0 mtp85 -105.28 -13.46 15.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.628 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -102.66 -29.44 11.52 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.442 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 mttp -99.94 -28.7 12.96 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.555 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.7 -28.05 57.8 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -59.0 -14.53 9.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.836 0.35 . . . . 1.0 110.613 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.444 ' HD1' ' CE1' ' A' ' 64' ' ' HIS . 18.1 m80 -137.45 -92.87 0.22 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.554 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.1 t-160 -150.79 -63.67 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.539 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 10.2 t-80 -168.86 114.02 0.59 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.565 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' O ' ' O ' ' A' ' 64' ' ' HIS . 23.7 t-80 49.36 40.64 18.99 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.417 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.444 ' CE1' ' HD1' ' A' ' 60' ' ' HIS . 54.7 m-70 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.021 -0.99 . . . . 1.0 110.591 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.2 tpp . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.352 -0.61 . . . . 1.0 109.352 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.426 ' OE2' ' O ' ' A' ' 43' ' ' THR . 43.7 mm-40 -50.58 95.85 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.605 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' OE2' ' CE2' ' A' ' 51' ' ' TRP . 2.7 pt-20 -57.51 -172.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.46 54.0 14.74 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -72.63 75.12 0.88 Allowed Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.96 -0.856 . . . . 1.0 110.96 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 178.16 70.86 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.871 0.367 . . . . 1.0 110.649 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.531 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.1 OUTLIER -80.16 179.32 7.7 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.564 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -71.88 13.88 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.576 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.751 HD22 ' H ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -41.52 -82.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.701 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.751 ' H ' HD22 ' A' ' 9' ' ' ASN . 0.2 OUTLIER -40.63 157.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.592 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 12.1 t80 43.09 38.25 1.44 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.362 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 160.37 27.01 0.02 OUTLIER Glycine 0 CA--C 1.525 0.712 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB2' ' C ' ' A' ' 9' ' ' ASN . . . -112.09 -34.96 5.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.832 0.348 . . . . 1.0 110.475 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -90.53 -22.3 21.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.337 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -61.6 -25.95 67.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.432 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.27 -25.88 12.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.566 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.8 t -81.98 -25.99 34.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.565 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.508 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.3 mt-10 -59.56 -74.85 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.506 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.2 t -46.42 -27.68 1.14 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 1.0 110.621 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.437 ' O ' ' N ' ' A' ' 23' ' ' ASP . 71.4 mm-40 -88.94 -20.85 23.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.667 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 17' ' ' SER . 33.5 t80 -48.44 -29.03 3.66 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.699 -179.868 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 70.8 p -79.4 -21.88 45.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.831 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 20' ' ' GLU . 0.5 OUTLIER -106.88 -56.6 2.17 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.743 -179.866 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.06 -34.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.975 -179.821 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 16.5 tttp -52.9 -42.13 65.06 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.521 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 22.1 m -108.61 -15.33 14.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.761 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 61.2 m -102.45 0.23 33.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.657 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -76.72 3.51 55.44 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -104.93 -6.03 20.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.688 0.28 . . . . 1.0 110.61 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -132.22 -5.72 3.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.954 -179.837 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.633 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.4 mt -78.41 -33.44 0.93 Allowed Pre-proline 0 CA--C 1.534 0.352 0 CA-C-N 116.422 -0.354 . . . . 1.0 111.733 179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.633 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.6 Cg_exo -57.9 -31.18 91.95 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 121.897 1.731 . . . . 1.0 112.066 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.69 -67.1 0.34 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.514 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -55.86 -36.64 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.257 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.447 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -61.07 -62.79 1.59 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.417 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.542 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -52.12 -57.4 9.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.613 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.599 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.7 OUTLIER -48.75 -34.36 12.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.506 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.4 t -88.44 -20.61 7.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.593 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.447 ' N ' ' O ' ' A' ' 35' ' ' TYR . 3.7 t80 -77.53 -59.43 2.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.493 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.46 0.01 0.8 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.467 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.599 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.9 mt -101.54 -52.18 3.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.457 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -99.64 10.71 61.02 Favored Glycine 0 CA--C 1.526 0.723 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.426 ' O ' ' OE2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -133.63 24.84 4.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.696 0.284 . . . . 1.0 110.553 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -129.78 -40.6 1.36 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.45 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -126.6 17.97 6.42 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.725 -0.95 . . . . 1.0 110.725 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -126.8 -50.62 1.47 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.864 0.364 . . . . 1.0 110.449 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.31 -45.99 82.0 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.859 -0.897 . . . . 1.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -55.32 -51.5 66.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 1.0 110.411 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.412 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.1 t -59.42 -65.71 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.559 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.412 ' N ' HG12 ' A' ' 49' ' ' VAL . 6.7 mt -48.57 -28.72 3.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.471 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.4 t90 -78.43 -47.73 16.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.452 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.46 ' O ' ' N ' ' A' ' 56' ' ' LYS . 18.0 m -64.91 -51.97 59.01 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.396 179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.1 t -52.44 -53.44 19.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.385 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -49.44 -46.99 48.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.479 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -75.79 -26.54 57.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.015 -0.539 . . . . 1.0 110.463 179.886 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 52' ' ' THR . 7.5 tptm -62.41 -55.49 27.34 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.545 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.7 mtpm? -84.17 -15.61 46.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.494 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.76 -29.6 47.03 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.9 -17.42 2.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.618 0.247 . . . . 1.0 110.499 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.421 ' O ' ' CG ' ' A' ' 60' ' ' HIS . 18.0 t-160 -125.33 51.21 1.71 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.567 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.513 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.3 t-80 -102.49 -153.95 0.48 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.495 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.513 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.6 OUTLIER -99.36 -70.24 0.74 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.535 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 t-80 -100.79 42.71 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.578 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.499 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.954 -1.022 . . . . 1.0 110.542 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.0 mtt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.344 -0.613 . . . . 1.0 109.344 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 57.26 -175.07 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.598 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 49.73 -166.39 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.572 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.11 131.23 1.2 Allowed Glycine 0 CA--C 1.526 0.755 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -101.14 -174.28 28.89 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 110.916 -0.874 . . . . 1.0 110.916 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -170.71 54.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.795 0.331 . . . . 1.0 110.53 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 71.0 m-85 -48.72 130.8 17.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -100.71 31.74 3.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.536 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.5 OUTLIER -45.18 -62.66 1.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.584 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.525 ' O ' ' CG ' ' A' ' 11' ' ' TYR . 0.6 OUTLIER -72.62 37.24 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.654 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 10' ' ' TYR . 53.0 m-85 -162.62 39.7 0.11 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.991 -0.549 . . . . 1.0 110.253 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 154.01 27.53 0.03 OUTLIER Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.88 -35.18 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.794 0.331 . . . . 1.0 110.489 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.444 ' C ' ' N ' ' A' ' 16' ' ' GLN . 20.5 m-20 -98.03 -23.43 15.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.557 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -49.83 -13.63 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.48 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.444 ' N ' ' C ' ' A' ' 14' ' ' ASP . 3.7 pp0? -100.17 -24.29 14.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.594 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 19' ' ' CYS . 0.3 OUTLIER -83.31 -25.35 31.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.524 -179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -56.41 -5.65 0.22 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.485 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.482 ' H ' ' C ' ' A' ' 17' ' ' SER . 5.6 m -101.54 -43.09 6.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.627 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 0.3 OUTLIER -85.77 -17.45 35.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.54 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.43 -46.58 80.21 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -61.69 -13.37 22.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.573 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.39 -47.03 4.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.539 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -45.17 -52.69 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.617 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.5 tttm -46.89 -23.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.519 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -101.55 -44.68 5.52 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.521 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -79.26 11.6 2.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.72 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.42 8.0 80.52 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.08 20.83 18.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.732 0.301 . . . . 1.0 110.624 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -137.28 -31.78 0.8 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.92 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.624 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.29 -36.79 5.1 Favored Pre-proline 0 CA--C 1.532 0.279 0 CA-C-N 116.526 -0.306 . . . . 1.0 111.433 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.624 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 25.5 Cg_exo -60.02 -30.15 90.92 Favored 'Trans proline' 0 N--CA 1.494 1.512 0 C-N-CA 122.175 1.916 . . . . 1.0 111.952 -179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.77 -65.5 0.67 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.602 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.7 -39.6 47.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.402 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.75 -62.36 1.93 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.521 179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.4 mmt -60.03 -54.23 48.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.585 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.676 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.2 tp -47.74 -30.08 3.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.52 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.6 t -92.91 -23.1 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.649 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.449 ' O ' ' CB ' ' A' ' 43' ' ' THR . 2.3 t80 -76.7 -58.87 3.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.635 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.7 0.59 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.548 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.676 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.1 mt -97.16 -59.41 1.79 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.557 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -97.02 9.19 65.54 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.449 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -131.96 32.63 4.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.821 0.344 . . . . 1.0 110.566 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.3 m -136.79 -51.33 0.68 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.448 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.0 -6.8 48.37 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.611 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.56 -51.35 7.39 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 1.0 110.517 179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.611 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.34 -53.5 32.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -49.48 -51.46 35.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.77 0.319 . . . . 1.0 110.408 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.4 t -60.2 -72.74 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.462 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 93.5 mt -44.59 -26.16 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.476 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.44 -47.89 13.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.483 -179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.51 -42.28 87.57 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.516 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 53.4 t -60.23 -45.41 96.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.105 -0.498 . . . . 1.0 110.62 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -59.24 -14.83 12.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.598 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -110.62 5.04 20.75 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.82 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 ptmt -120.42 -27.18 5.24 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.331 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -101.43 -32.87 10.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.573 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.54 -30.1 34.1 Favored Glycine 0 CA--C 1.525 0.71 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.408 ' O ' ' O ' ' A' ' 60' ' ' HIS . 0.2 OUTLIER -54.82 -36.2 64.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.817 0.341 . . . . 1.0 110.595 179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.58 ' CG ' ' N ' ' A' ' 61' ' ' HIS . 25.8 t-80 -55.99 -109.29 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.57 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.58 ' N ' ' CG ' ' A' ' 60' ' ' HIS . 24.1 m80 -152.11 -55.67 0.13 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.597 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 62.4 t60 -156.59 -44.41 0.07 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.549 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.469 ' O ' ' ND1' ' A' ' 64' ' ' HIS . 4.3 t-80 -98.22 41.69 1.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.59 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.507 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.428 0 CA-C-O 118.014 -0.993 . . . . 1.0 110.537 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.369 -0.604 . . . . 1.0 109.369 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.37 73.68 2.85 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.565 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -172.49 56.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.493 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.88 -31.78 2.17 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 110.869 -0.892 . . . . 1.0 110.869 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.75 -148.69 19.08 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -149.62 47.48 0.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.774 0.321 . . . . 1.0 110.583 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -92.61 176.83 6.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.595 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER -74.47 8.18 2.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.557 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.512 ' O ' ' N ' ' A' ' 11' ' ' TYR . 2.6 t-20 -58.88 -32.72 69.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.507 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -62.97 70.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.547 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.512 ' N ' ' O ' ' A' ' 9' ' ' ASN . 21.1 m-85 40.11 39.75 0.68 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.593 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 40.97 54.22 3.68 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.846 -0.902 . . . . 1.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -131.8 -31.82 1.51 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.787 0.327 . . . . 1.0 110.65 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -84.29 -28.75 26.93 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.389 -0.368 . . . . 1.0 110.466 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.479 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.0 OUTLIER -58.62 -27.29 64.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.461 -179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 pt20 -103.42 -2.19 27.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.606 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -101.92 -41.14 6.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.558 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.5 pt-20 -52.09 -23.31 5.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.6 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 85.6 m -70.41 -29.85 66.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.528 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 -94.26 -23.86 17.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.553 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 39.5 t80 -61.38 -32.68 72.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.593 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.7 p -77.72 -20.51 53.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.611 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.41 -51.94 5.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.436 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -44.27 -56.57 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.545 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -47.04 -22.09 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.607 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -98.39 -47.8 5.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.673 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.8 p -77.48 2.92 14.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.59 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -94.25 1.11 66.83 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -105.16 41.51 1.34 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.713 0.292 . . . . 1.0 110.677 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 pp -174.0 -28.51 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.234 -0.439 . . . . 1.0 111.031 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.629 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -75.27 -32.65 1.27 Allowed Pre-proline 0 CA--C 1.534 0.358 0 C-N-CA 120.87 -0.332 . . . . 1.0 111.766 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.629 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.8 Cg_exo -58.28 -23.47 62.74 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 121.855 1.703 . . . . 1.0 112.036 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -63.35 -65.27 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.634 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.503 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -49.08 -48.14 17.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.545 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -51.75 -55.24 20.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.607 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.471 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -59.11 -64.53 0.91 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.639 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.742 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.8 tp -46.91 -17.6 0.05 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' N ' ' C ' ' A' ' 36' ' ' MET . 35.9 t -101.89 -24.65 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.55 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.471 ' N ' ' O ' ' A' ' 36' ' ' MET . 34.8 t80 -80.54 -56.2 4.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.583 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.4 pp -65.95 1.45 1.41 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.564 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.742 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.5 mt -101.22 -61.03 1.42 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.531 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -93.58 10.58 72.58 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -136.2 33.27 2.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.785 0.326 . . . . 1.0 110.525 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.8 m -135.94 -51.26 0.72 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.401 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.405 ' O ' HG23 ' A' ' 49' ' ' VAL . . . -105.04 -6.72 39.35 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -83.39 -51.08 7.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.791 0.329 . . . . 1.0 110.576 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.51 -52.42 39.6 Favored Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.4 tp -53.5 -45.01 69.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.726 0.298 . . . . 1.0 110.507 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.405 HG23 ' O ' ' A' ' 45' ' ' GLY . 5.1 t -59.5 -62.07 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.38 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.0 mt -52.35 -25.68 10.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.485 . . . . 1.0 110.513 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.462 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -81.44 -47.39 13.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.593 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 4.8 m -64.4 -45.75 86.25 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.567 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.5 t -58.81 -46.14 91.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.52 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.81 -16.03 3.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.454 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.462 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.1 mtp85 -101.48 -12.3 18.65 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.69 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -103.25 -29.69 11.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.293 -0.412 . . . . 1.0 110.396 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.0 mttp -100.48 -30.89 11.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.511 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.95 -27.54 60.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.14 -37.43 69.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.799 0.333 . . . . 1.0 110.552 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 7.8 t-80 -97.4 74.67 2.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.597 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.454 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 7.4 m-70 -73.55 4.64 4.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.584 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 2.1 t-160 77.97 -34.92 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.546 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.519 ' ND1' ' O ' ' A' ' 62' ' ' HIS . 1.0 OUTLIER -134.81 41.85 2.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 . . . . . 0 C--O 1.22 -0.449 0 CA-C-O 117.985 -1.007 . . . . 1.0 110.574 -179.983 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.442 -0.577 . . . . 1.0 109.442 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -71.24 152.35 43.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.591 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -174.16 -167.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 1.0 110.59 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -160.34 -117.5 0.46 Allowed Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.972 -0.851 . . . . 1.0 110.972 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 141.68 -134.96 6.49 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 3.0 t70 59.25 50.65 7.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 1.0 110.553 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -61.3 144.95 52.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.576 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -92.73 22.31 4.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.601 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.487 ' O ' ' N ' ' A' ' 13' ' ' ALA . 3.6 p30 -46.17 -79.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.572 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.429 ' H ' ' CG ' ' A' ' 9' ' ' ASN . 72.5 m-85 -41.7 146.56 0.24 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.578 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 15.7 t80 51.96 41.63 29.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.598 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 179.78 -29.27 0.06 OUTLIER Glycine 0 CA--C 1.524 0.623 0 N-CA-C 110.949 -0.861 . . . . 1.0 110.949 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.487 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -94.03 -26.11 16.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.795 0.331 . . . . 1.0 110.562 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' N ' ' A' ' 17' ' ' SER . 12.6 p-10 -109.25 -16.97 13.94 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.569 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -50.87 -19.03 0.87 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.592 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pt20 -88.61 -25.3 22.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.552 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.429 ' C ' ' N ' ' A' ' 19' ' ' CYS . 67.1 p -78.15 -49.5 13.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.589 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.42 ' O ' ' OE1' ' A' ' 18' ' ' GLU . 0.3 OUTLIER -49.54 -14.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.581 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.429 ' N ' ' C ' ' A' ' 17' ' ' SER . 16.5 t -68.41 -28.88 67.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.652 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -94.33 9.27 38.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.451 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 24.5 t80 -70.81 -46.83 62.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.007 -0.542 . . . . 1.0 110.537 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.9 p -62.84 -25.91 68.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.553 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -92.59 -39.93 11.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.532 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.527 ' O ' ' N ' ' A' ' 28' ' ' GLY . 21.3 t90 -46.9 -52.95 13.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.532 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.1 mtpt -46.6 -31.86 3.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.522 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.1 m -89.27 -49.41 6.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.745 -179.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.8 m -84.55 16.52 3.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.694 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -127.12 35.97 2.72 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.748 -0.941 . . . . 1.0 110.748 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.54 -3.94 0.79 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.68 0.276 . . . . 1.0 110.652 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.87 -34.52 0.67 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.762 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -74.1 -35.42 2.35 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.346 -0.388 . . . . 1.0 111.418 179.766 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.7 Cg_exo -60.6 -33.06 93.99 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.112 1.875 . . . . 1.0 111.976 -179.848 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.12 -72.05 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -49.19 -46.2 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.378 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -52.11 -64.63 0.75 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.413 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.2 mmt -61.25 -56.49 20.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.636 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 tp -45.03 -25.25 0.3 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.518 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 56.9 t -101.14 -26.89 3.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.677 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -71.21 -58.03 3.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.58 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -61.28 -36.43 80.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.547 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -49.98 -71.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.544 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.474 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -57.84 -57.69 18.47 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.951 -0.859 . . . . 1.0 110.951 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.443 HG22 ' O ' ' A' ' 43' ' ' THR . 9.0 m -48.2 -13.19 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.691 0.282 . . . . 1.0 110.691 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.462 ' N ' ' C ' ' A' ' 42' ' ' GLY . 95.8 m -110.82 -26.51 9.31 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.61 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -98.82 -4.63 56.82 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 111.045 -0.822 . . . . 1.0 111.045 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.529 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -106.93 -44.32 4.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.802 0.334 . . . . 1.0 110.576 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.529 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.1 -56.52 8.83 Favored Glycine 0 CA--C 1.525 0.701 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.6 tp -46.64 -47.82 20.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.835 0.35 . . . . 1.0 110.388 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.499 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.6 t -62.15 -74.99 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.603 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.499 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.6 mt -42.0 -30.5 0.28 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.455 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 77.9 t90 -72.97 -51.01 19.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.081 -0.509 . . . . 1.0 110.297 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.4 m -66.76 -56.83 8.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.062 179.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.0 t -43.43 -38.61 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.951 -0.568 . . . . 1.0 110.523 179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -65.25 -52.38 54.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.44 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -72.23 -9.59 58.66 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.554 -0.536 . . . . 1.0 109.554 179.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.9 tptm -87.06 -51.88 5.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.638 -0.71 . . . . 1.0 110.324 179.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.8 -23.82 62.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.823 -0.626 . . . . 1.0 110.619 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.55 -28.77 51.04 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.917 -0.873 . . . . 1.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 0.0 OUTLIER -57.93 -14.94 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.739 0.304 . . . . 1.0 110.587 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.495 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 14.2 t-160 -83.11 7.31 16.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.525 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -100.53 -174.62 2.69 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.554 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -80.52 -78.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.559 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.504 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 25.6 m80 -93.7 41.84 1.09 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.607 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.504 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 13.6 p80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.057 -0.973 . . . . 1.0 110.524 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.489 -0.56 . . . . 1.0 109.489 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -80.25 -164.54 0.7 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.6 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -173.02 151.4 2.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.573 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.27 126.4 1.0 Allowed Glycine 0 CA--C 1.525 0.7 0 N-CA-C 110.954 -0.858 . . . . 1.0 110.954 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 176.98 55.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -146.69 44.93 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.823 0.344 . . . . 1.0 110.57 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.458 ' C ' ' H ' ' A' ' 9' ' ' ASN . 88.9 m-85 -99.34 -170.43 1.91 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.28 16.79 0.22 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.563 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.458 ' H ' ' C ' ' A' ' 7' ' ' PHE . 39.8 p-10 -54.24 176.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.524 -179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.7 t80 41.43 32.8 0.24 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.423 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -174.2 39.93 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.81 -0.632 . . . . 1.0 110.386 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.63 29.1 0.04 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.882 -0.887 . . . . 1.0 110.882 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.06 -27.89 2.94 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.814 0.34 . . . . 1.0 110.585 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -94.87 -28.96 14.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.563 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 54.5 m-80 -50.09 -28.79 7.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.523 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.618 ' H ' HE21 ' A' ' 16' ' ' GLN . 0.0 OUTLIER -91.23 -26.99 18.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.574 -179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.527 ' O ' ' N ' ' A' ' 21' ' ' TYR . 62.0 p -74.31 -34.93 63.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.554 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.513 ' O ' ' N ' ' A' ' 21' ' ' TYR . 24.2 mt-10 -58.99 -77.03 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.592 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.4 m -43.28 -27.77 0.27 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.019 -0.537 . . . . 1.0 110.711 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -86.84 -29.4 22.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.578 -179.848 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.527 ' N ' ' O ' ' A' ' 17' ' ' SER . 8.2 t80 -67.64 -35.06 78.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.701 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 t -78.69 -14.43 59.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.574 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.81 -53.49 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.45 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.87 -44.58 9.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.557 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.1 tttt -47.81 -30.52 4.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.555 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 57.8 m -102.59 -42.84 5.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.643 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.52 30.34 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.612 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -128.94 24.9 4.73 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.869 -0.893 . . . . 1.0 110.869 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.12 17.67 3.77 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.806 0.336 . . . . 1.0 110.628 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.62 -36.03 0.22 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.743 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.623 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mt -72.35 -35.59 3.37 Favored Pre-proline 0 CA--C 1.534 0.346 0 CA-C-N 116.405 -0.361 . . . . 1.0 111.496 179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.623 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.7 Cg_exo -60.81 -32.17 92.55 Favored 'Trans proline' 0 N--CA 1.494 1.505 0 C-N-CA 122.089 1.859 . . . . 1.0 112.02 -179.76 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.86 -67.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.633 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.87 -39.42 25.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.416 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.91 -61.22 2.64 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.508 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.448 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.05 -55.74 27.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.425 . . . . 1.0 110.604 179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -47.93 -35.99 11.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.438 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.2 t -90.61 -8.94 10.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.07 -0.514 . . . . 1.0 110.542 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.448 ' N ' ' O ' ' A' ' 36' ' ' MET . 22.2 t80 -84.89 -54.52 4.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.65 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.69 -3.23 26.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.744 -179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.524 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 86.8 mt -124.5 -2.82 7.92 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.5 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.79 4.42 3.95 Favored Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.8 m -150.96 27.11 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.772 0.32 . . . . 1.0 110.626 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.8 m -129.65 -46.8 1.16 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.306 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.21 5.03 11.15 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.691 -0.963 . . . . 1.0 110.691 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 29.7 m-80 -103.18 -50.53 3.46 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.858 0.361 . . . . 1.0 110.645 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.6 -50.84 40.16 Favored Glycine 0 CA--C 1.524 0.649 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.9 tp -53.46 -48.0 69.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.846 0.355 . . . . 1.0 110.422 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.42 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.7 t -59.82 -71.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.503 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 7.2 mt -41.72 -31.18 0.28 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.567 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 78.9 t90 -77.92 -49.0 15.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.533 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.0 m -61.57 -44.92 96.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.364 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.469 ' C ' ' N ' ' A' ' 55' ' ' ARG . 61.4 t -64.22 -48.91 83.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.565 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.503 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 2.7 m-85 -48.87 -12.78 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.31 -0.405 . . . . 1.0 110.582 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.567 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 23.3 mtm180 -105.45 -19.97 13.62 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.837 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -99.48 -23.83 14.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.45 -0.341 . . . . 1.0 110.554 -179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.417 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -104.13 -15.32 15.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.37 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.01 -30.14 39.32 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -57.83 -12.76 3.37 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 1.0 110.6 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 19.2 m-70 -138.56 76.32 1.57 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.527 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 62' ' ' HIS . 1.1 t-80 -109.11 145.65 35.36 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.573 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.406 ' O ' ' O ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER 54.38 106.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.539 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.7 t-80 49.06 40.61 17.65 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.414 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 71.1 m80 . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 117.984 -1.008 . . . . 1.0 110.583 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 tpp . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.532 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 3.3 pm0 -92.02 90.22 7.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.548 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -53.73 157.4 2.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.509 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.46 -64.81 0.04 OUTLIER Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.91 -164.43 4.52 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -175.4 57.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.877 0.37 . . . . 1.0 110.614 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 62.67 134.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.51 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.8 OUTLIER -137.68 39.11 2.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.496 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.691 HD22 ' H ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 47.68 -178.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.757 179.879 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.691 ' H ' HD22 ' A' ' 9' ' ' ASN . 21.2 t80 -49.26 88.81 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.326 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.522 ' N ' ' O ' ' A' ' 9' ' ' ASN . 16.2 t80 45.42 39.69 4.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.169 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 8' ' ' ASP . . . 42.91 31.41 1.18 Allowed Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 -179.769 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.81 -33.02 9.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.825 0.345 . . . . 1.0 110.487 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD2' ' ND2' ' A' ' 9' ' ' ASN . 26.2 p-10 -91.58 -26.29 18.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.408 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -47.69 -15.99 0.06 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.485 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.449 ' N ' ' C ' ' A' ' 14' ' ' ASP . 10.6 pt20 -101.93 -24.2 14.04 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.503 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.462 ' N ' ' O ' ' A' ' 14' ' ' ASP . 20.1 t -74.18 -36.66 64.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.584 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -50.09 -24.79 2.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.563 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.13 -30.61 69.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.504 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 49.7 mm-40 -83.29 -6.25 59.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.544 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.497 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -95.65 -45.12 7.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.543 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.497 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 1.5 t -67.39 -23.01 65.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.598 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -89.98 -42.47 11.15 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.595 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 2.7 t90 -54.94 -59.46 4.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.9 ttmt -50.87 -27.95 8.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.612 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -79.83 -48.86 12.84 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.534 -179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -69.63 -25.34 63.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.606 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -67.92 -0.68 15.09 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.77 -9.82 19.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.729 0.3 . . . . 1.0 110.654 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 pp -134.75 0.17 2.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.642 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -75.9 -33.7 1.35 Allowed Pre-proline 0 CA--C 1.535 0.39 0 CA-C-N 116.324 -0.398 . . . . 1.0 111.631 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.4 Cg_exo -58.41 -25.27 72.67 Favored 'Trans proline' 0 N--CA 1.494 1.544 0 C-N-CA 121.921 1.747 . . . . 1.0 112.065 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.54 -68.1 0.27 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.596 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.461 ' O ' HG23 ' A' ' 38' ' ' VAL . 1.3 mm -48.35 -40.95 10.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.482 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -62.91 -59.1 5.3 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.521 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -55.3 36.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.544 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.548 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -49.88 -31.57 12.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.66 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.461 HG23 ' O ' ' A' ' 34' ' ' ILE . 54.4 t -89.74 -19.04 7.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.242 -0.436 . . . . 1.0 110.526 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.454 ' C ' ' H ' ' A' ' 41' ' ' LEU . 30.5 t80 -79.72 -58.85 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.607 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.22 1.13 0.79 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.55 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.548 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.2 mt -99.05 -65.82 0.94 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.617 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.97 11.45 72.09 Favored Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.974 -0.851 . . . . 1.0 110.974 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.14 33.17 3.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.856 0.36 . . . . 1.0 110.669 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.3 m -136.36 -50.87 0.69 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 1.0 110.475 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.15 -2.16 38.75 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -89.13 -49.6 6.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.795 0.331 . . . . 1.0 110.619 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.7 -50.69 34.75 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -53.21 -48.38 68.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.799 0.333 . . . . 1.0 110.404 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.431 HG12 ' N ' ' A' ' 50' ' ' LEU . 24.5 t -60.13 -72.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.623 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.431 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -41.49 -30.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.612 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.6 t90 -77.34 -50.69 12.26 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.602 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -64.2 -44.74 91.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.525 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.3 t -57.99 -46.25 87.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.639 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.74 -14.84 9.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.636 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.39 9.64 23.45 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.745 -179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.29 -26.81 4.22 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.394 179.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 9.8 mttt -98.89 -38.8 8.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.629 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.68 -29.69 42.39 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -55.84 -34.67 65.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.837 0.351 . . . . 1.0 110.616 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -64.88 0.57 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.623 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.611 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 72.3 t60 -137.52 173.03 12.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.497 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.611 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 97.1 m-70 -62.8 -92.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.588 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.411 ' O ' ' O ' ' A' ' 64' ' ' HIS . 74.0 m80 -88.7 41.24 1.01 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.523 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.463 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 1.5 m170 . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.024 -0.989 . . . . 1.0 110.614 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.3 mtm . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -96.36 107.71 20.13 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.611 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -177.28 168.7 2.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.593 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.8 -88.28 0.07 OUTLIER Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 175.58 67.12 0.05 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.983 -0.847 . . . . 1.0 110.983 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -149.85 55.42 0.95 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.792 0.33 . . . . 1.0 110.591 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 49.09 45.87 22.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.522 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.49 55.99 3.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.575 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.507 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 0.9 OUTLIER -58.06 169.77 0.75 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.538 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.1 t80 58.52 142.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 20.8 t80 41.84 40.12 1.44 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.468 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.02 30.57 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.507 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -127.98 -28.1 2.69 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.756 0.312 . . . . 1.0 110.589 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 4.3 m-20 -96.94 -27.33 14.7 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.545 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.89 -26.3 3.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.579 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 pt20 -97.83 -16.97 19.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.584 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.473 ' C ' ' H ' ' A' ' 19' ' ' CYS . 82.7 p -76.54 -40.2 50.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.571 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -50.1 -11.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.634 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.473 ' H ' ' C ' ' A' ' 17' ' ' SER . 17.6 t -71.82 -29.64 64.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.539 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -91.25 -22.74 20.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 47.9 t80 -60.15 -35.03 74.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.615 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 59.3 p -74.01 -21.28 60.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.541 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.4 OUTLIER -91.4 -53.21 4.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.58 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -42.83 -49.05 5.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.588 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.1 tttt -57.47 -30.72 65.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.535 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.469 ' N ' ' O ' ' A' ' 23' ' ' ASP . 13.8 m -81.87 -48.58 11.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.543 -179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.02 -0.65 45.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.581 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.91 6.62 82.75 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.39 -3.58 28.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.725 0.298 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 pp -130.81 -5.29 4.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.0 mt -78.9 -33.28 0.86 Allowed Pre-proline 0 CA--C 1.535 0.366 0 CA-C-N 116.313 -0.403 . . . . 1.0 111.674 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 29.2 Cg_exo -58.84 -22.48 62.45 Favored 'Trans proline' 0 N--CA 1.495 1.588 0 C-N-CA 122.008 1.805 . . . . 1.0 111.985 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.43 -68.51 0.27 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.628 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.484 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -52.4 -48.06 45.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.338 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -47.16 -60.58 2.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.515 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.478 ' C ' ' N ' ' A' ' 38' ' ' VAL . 7.8 mmt -59.02 -60.42 3.9 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.58 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.455 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -49.08 -11.81 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.65 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 ' N ' ' C ' ' A' ' 36' ' ' MET . 50.3 t -115.32 -13.45 11.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.593 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.431 ' N ' ' O ' ' A' ' 36' ' ' MET . 26.3 t80 -95.57 -15.52 22.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.693 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -112.17 2.08 16.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.33 -0.396 . . . . 1.0 110.55 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.455 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -103.86 -63.87 1.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 1.0 111.103 -179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.56 9.26 58.8 Favored Glycine 0 CA--C 1.525 0.681 0 C-N-CA 121.092 -0.575 . . . . 1.0 111.829 -179.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.23 31.14 4.43 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-O 120.891 0.377 . . . . 1.0 110.519 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -138.09 -47.91 0.54 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.341 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.56 -1.24 46.71 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 110.755 -0.938 . . . . 1.0 110.755 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -94.65 -50.38 5.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 1.0 110.576 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -65.68 -45.16 90.63 Favored Glycine 0 CA--C 1.525 0.692 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.4 tp -58.36 -48.8 79.44 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.869 0.366 . . . . 1.0 110.458 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.477 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.0 t -59.74 -69.88 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.523 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.4 mt -43.59 -30.45 0.6 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.535 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.569 ' CH2' ' CZ ' ' A' ' 55' ' ' ARG . 81.1 t90 -77.54 -50.52 12.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.538 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 20.0 m -59.74 -43.95 94.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.496 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' C ' ' N ' ' A' ' 55' ' ' ARG . 47.3 t -65.47 -48.4 83.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.557 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -49.25 -12.45 0.05 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.554 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.569 ' CZ ' ' CH2' ' A' ' 51' ' ' TRP . 26.6 mtm180 -104.08 -22.27 13.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.668 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.7 ptmt -93.98 -29.07 15.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.448 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -101.51 -12.78 18.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.519 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.65 -30.56 26.55 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.892 -0.883 . . . . 1.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -57.72 -15.03 6.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.807 0.337 . . . . 1.0 110.574 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -92.53 16.87 11.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.55 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 12.5 t-80 -94.71 36.82 1.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.487 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.424 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 1.9 t-160 75.5 -64.11 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.551 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 2.5 m80 -73.14 52.82 0.35 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.478 ' N ' ' ND1' ' A' ' 64' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 117.911 -1.042 . . . . 1.0 110.521 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.373 -0.602 . . . . 1.0 109.373 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -141.95 105.08 4.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.574 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -54.64 119.6 5.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.575 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.13 102.63 0.21 Allowed Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.962 -0.855 . . . . 1.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.27 -154.42 20.13 Favored Glycine 0 CA--C 1.525 0.719 0 N-CA-C 110.885 -0.886 . . . . 1.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' C ' ' CD1' ' A' ' 7' ' ' PHE . 28.0 t70 -171.67 53.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.842 0.353 . . . . 1.0 110.556 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -150.93 101.9 2.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.533 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 41.57 21.99 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.576 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.58 ' ND2' ' N ' ' A' ' 10' ' ' TYR . 11.1 t30 -49.1 -97.76 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.535 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.58 ' N ' ' ND2' ' A' ' 9' ' ' ASN . 0.6 OUTLIER -41.61 126.37 2.93 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.547 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 78.83 40.17 0.11 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.416 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.01 27.68 0.03 OUTLIER Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.0 -27.69 2.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.735 0.302 . . . . 1.0 110.593 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -96.38 -29.46 13.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.595 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -48.09 -28.96 3.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.553 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.3 pp0? -80.09 -30.36 39.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.54 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.465 ' C ' ' N ' ' A' ' 19' ' ' CYS . 39.7 t -70.5 -53.0 17.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.603 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.1 mt-10 -47.74 -14.91 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.55 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.465 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.5 OUTLIER -88.26 -32.53 18.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.585 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 17' ' ' SER . 3.0 mm-40 -92.31 -31.91 15.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.528 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.454 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 20.9 t80 -53.14 -32.71 49.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -78.83 -18.73 53.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -95.37 -57.03 2.51 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.564 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.458 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.8 -42.31 2.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.528 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -50.68 -36.82 37.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.591 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 2.8 t -95.94 -34.4 11.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.567 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 54.9 m -87.53 13.58 9.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.581 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.21 -10.69 74.07 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.841 -0.904 . . . . 1.0 110.841 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.52 43.52 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.848 0.356 . . . . 1.0 110.238 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -172.65 -28.41 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.062 -0.517 . . . . 1.0 111.055 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.4 mt -70.72 -34.58 3.78 Favored Pre-proline 0 CA--C 1.535 0.386 0 C-N-CA 120.977 -0.289 . . . . 1.0 111.734 -179.706 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.62 -26.95 83.96 Favored 'Trans proline' 0 N--CA 1.494 1.507 0 C-N-CA 121.87 1.713 . . . . 1.0 111.959 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.36 -69.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.47 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -58.15 -45.64 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.323 -0.399 . . . . 1.0 110.21 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.61 -52.98 4.63 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.2 179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -66.99 -57.91 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.031 -0.532 . . . . 1.0 110.609 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.6 OUTLIER -45.66 -37.67 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.467 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 7.8 t -82.38 -29.99 9.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 1.0 111.016 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.5 t80 -71.63 -59.4 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.85 -179.834 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.9 pp -63.29 0.41 0.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.349 -0.387 . . . . 1.0 110.603 -179.759 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.542 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.1 mt -96.06 -67.78 0.83 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.647 179.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -83.9 3.31 85.96 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 111.079 -0.809 . . . . 1.0 111.079 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -131.54 42.34 3.2 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.899 0.381 . . . . 1.0 110.562 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.414 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 21.8 m -140.31 -55.87 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.36 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.98 -8.55 39.02 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.778 -0.929 . . . . 1.0 110.778 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -73.19 -48.44 35.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.751 0.31 . . . . 1.0 110.555 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.99 -46.53 65.67 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.961 -0.855 . . . . 1.0 110.961 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.402 HD12 ' HA ' ' A' ' 48' ' ' LEU . 41.4 tp -57.11 -49.06 77.08 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.817 0.341 . . . . 1.0 110.379 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.486 HG12 ' N ' ' A' ' 50' ' ' LEU . 11.5 t -60.16 -70.61 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.596 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.486 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.6 mt -42.18 -30.75 0.32 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.529 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -77.66 -50.32 12.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.561 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.2 m -58.51 -42.97 88.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.484 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.405 ' C ' ' N ' ' A' ' 55' ' ' ARG . 35.6 t -62.9 -47.37 93.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.582 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.96 -13.19 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.495 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.405 ' N ' ' C ' ' A' ' 53' ' ' VAL . 9.6 mtp85 -103.68 -14.83 15.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.735 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -102.41 -28.63 12.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.332 -0.394 . . . . 1.0 110.411 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.7 ttpp -99.73 -29.95 12.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.47 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.14 -28.64 55.77 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -15.07 11.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.837 0.351 . . . . 1.0 110.596 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 11.4 t-160 -137.56 94.61 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.593 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.624 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 4.5 t-80 -67.13 -148.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.532 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.624 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 0.1 OUTLIER -91.31 -52.45 4.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.574 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -137.8 43.1 2.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.571 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 62.7 m80 . . . . . 0 C--O 1.219 -0.519 0 CA-C-O 118.071 -0.966 . . . . 1.0 110.596 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ptt? . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.424 ' CD ' ' H ' ' A' ' 2' ' ' GLU . 1.4 pm0 -91.83 77.54 5.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.513 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.461 ' N ' ' CD ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -56.08 178.4 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.588 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.39 134.02 8.33 Favored Glycine 0 CA--C 1.523 0.588 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -43.73 -86.74 0.01 OUTLIER Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' C ' ' CG ' ' A' ' 7' ' ' PHE . 2.2 p30 -172.33 67.87 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.81 0.338 . . . . 1.0 110.557 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.526 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 64.07 156.44 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.462 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 9' ' ' ASN . 0.5 OUTLIER -93.73 27.37 2.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.525 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.558 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 29.4 p30 -45.95 173.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.543 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.528 ' O ' ' CG ' ' A' ' 10' ' ' TYR . 0.1 OUTLIER 52.69 109.88 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.943 179.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 79.31 40.87 0.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.451 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.45 26.53 0.05 OUTLIER Glycine 0 CA--C 1.522 0.513 0 N-CA-C 110.897 -0.881 . . . . 1.0 110.897 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.558 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -128.29 -27.5 2.68 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.832 0.349 . . . . 1.0 110.616 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -92.07 -29.38 16.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.565 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -52.9 -28.23 22.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.594 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -99.7 -4.28 31.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.543 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.496 ' O ' ' N ' ' A' ' 21' ' ' TYR . 16.6 p -96.03 -36.09 11.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.556 -179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.487 ' O ' ' N ' ' A' ' 21' ' ' TYR . 44.0 mt-10 -54.51 -64.89 0.69 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.558 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 73.4 m -43.02 -29.97 0.39 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.561 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.8 mm-40 -92.26 -27.43 17.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.582 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.496 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.5 t80 -52.23 -30.91 29.68 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.631 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 52.3 p -76.22 -20.59 57.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.552 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.1 OUTLIER -98.64 -60.14 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.607 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.436 ' HA ' ' H ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -41.56 -31.95 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.576 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -76.62 -37.38 56.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.661 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.499 ' N ' ' O ' ' A' ' 23' ' ' ASP . 58.2 m -95.63 -2.53 48.01 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.728 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.515 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.1 OUTLIER -136.17 -53.55 0.74 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.648 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.436 ' H ' ' HA ' ' A' ' 24' ' ' TRP . . . -60.21 -1.08 1.4 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.468 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -102.93 -9.08 20.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.759 0.314 . . . . 1.0 110.608 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -141.65 7.22 1.89 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.662 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -75.78 -33.59 1.35 Allowed Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.284 -0.416 . . . . 1.0 111.625 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 33.4 Cg_exo -58.51 -19.05 42.45 Favored 'Trans proline' 0 N--CA 1.493 1.491 0 C-N-CA 121.939 1.759 . . . . 1.0 111.993 -179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.78 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.67 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.534 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.7 mp -54.06 -36.42 31.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.511 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -65.21 -57.44 8.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.503 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.492 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.94 -57.7 11.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.622 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.5 tp -46.65 -28.76 1.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.517 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.452 HG12 ' O ' ' A' ' 38' ' ' VAL . 44.8 t -98.07 -13.2 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.09 -0.505 . . . . 1.0 110.511 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.492 ' N ' ' O ' ' A' ' 36' ' ' MET . 17.7 t80 -81.05 -48.27 12.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.577 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.15 -2.08 43.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.7 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 37' ' ' LEU . 91.1 mt -125.63 -0.41 7.45 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.453 179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -137.36 3.18 3.27 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -144.31 23.2 1.66 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.762 0.315 . . . . 1.0 110.572 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -132.44 -48.07 0.9 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.389 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.33 -4.33 43.92 Favored Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.779 -0.928 . . . . 1.0 110.779 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.68 -53.28 4.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.814 0.34 . . . . 1.0 110.59 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.602 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -62.67 -54.56 32.92 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.2 tp -47.94 -51.27 24.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.735 0.302 . . . . 1.0 110.43 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.7 t -60.69 -72.06 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.4 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.49 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -46.66 -21.51 0.2 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.443 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.472 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.7 t90 -85.56 -44.07 12.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.523 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 3.6 m -66.43 -41.5 89.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 1.0 110.451 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.433 ' O ' ' N ' ' A' ' 56' ' ' LYS . 38.0 t -62.54 -52.43 59.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.482 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -14.9 0.11 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.508 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.472 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 10.6 mtp85 -101.51 -20.68 14.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.607 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.3 OUTLIER -94.61 -29.24 14.96 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.435 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -101.9 -13.91 17.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.505 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -85.54 -31.99 20.3 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -13.5 3.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.788 0.328 . . . . 1.0 110.549 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 73.4 t60 -138.15 92.42 2.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.518 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -73.26 -177.1 2.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.552 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -73.33 -80.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.582 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -98.96 42.35 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.54 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 1.5 m80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.029 -0.986 . . . . 1.0 110.501 179.944 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 tmm? . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.391 -0.596 . . . . 1.0 109.391 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' GLU . 0.5 OUTLIER -151.56 126.25 9.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.621 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' GLU . 13.5 mt-10 53.79 169.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.488 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.19 -134.83 2.59 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.956 -0.858 . . . . 1.0 110.956 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.44 84.52 0.15 Allowed Glycine 0 CA--C 1.524 0.625 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 -148.89 54.22 0.99 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.856 0.36 . . . . 1.0 110.556 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 43.3 m-85 -100.24 154.91 18.08 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.563 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -97.18 24.94 5.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.614 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -41.83 -88.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.558 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.402 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 1.3 p90 -41.92 129.95 3.47 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.506 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.402 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 3.5 t80 74.54 40.46 0.4 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.577 -179.853 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.27 27.73 0.03 OUTLIER Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.89 -27.57 2.77 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 1.0 110.642 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 -95.35 -25.71 16.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.571 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -54.94 -26.57 37.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.529 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -92.36 -3.66 55.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.492 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.3 t -96.03 -48.9 5.5 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.614 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -55.83 -26.34 46.15 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.623 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 65.7 m -78.35 -29.72 47.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.604 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -90.34 -29.7 17.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.587 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 28.6 t80 -51.47 -38.6 54.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.617 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -68.23 -14.08 62.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.461 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.423 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.9 OUTLIER -102.69 -46.63 4.67 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.53 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.528 ' O ' ' N ' ' A' ' 28' ' ' GLY . 22.9 t90 -42.34 -52.05 4.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.568 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 5.5 mtpm? -49.69 -31.98 12.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.522 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.423 ' N ' ' O ' ' A' ' 23' ' ' ASP . 32.2 t -88.61 -49.27 6.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.769 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.3 m -84.54 15.17 3.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.689 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.528 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -126.78 37.03 2.5 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.797 -0.921 . . . . 1.0 110.797 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -145.7 -4.82 0.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.693 0.282 . . . . 1.0 110.636 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.07 -33.75 0.75 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.291 -0.413 . . . . 1.0 110.752 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.619 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.8 OUTLIER -74.91 -35.31 1.96 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.407 -0.361 . . . . 1.0 111.461 179.783 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.619 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 22.1 Cg_exo -61.14 -30.86 89.65 Favored 'Trans proline' 0 N--CA 1.494 1.52 0 C-N-CA 122.062 1.841 . . . . 1.0 112.027 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.21 -74.56 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.74 -179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 13.1 mt -51.64 -51.2 27.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.399 -0.364 . . . . 1.0 110.301 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -41.56 -56.42 2.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.186 179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.31 -52.51 65.35 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.389 179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.2 tp -49.89 -44.48 50.06 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.283 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.442 HG12 ' O ' ' A' ' 38' ' ' VAL . 72.5 t -78.98 -14.58 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.846 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.509 ' O ' ' N ' ' A' ' 43' ' ' THR . 38.1 t80 -80.67 -60.19 2.4 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.781 0.324 . . . . 1.0 110.77 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -68.12 -1.48 6.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.416 . . . . 1.0 110.815 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 80.5 mt -122.95 -8.64 8.32 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.256 -0.429 . . . . 1.0 110.467 179.704 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -135.2 7.11 4.37 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.946 -0.862 . . . . 1.0 110.946 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.509 ' N ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -148.42 20.74 1.06 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.803 0.335 . . . . 1.0 110.617 179.952 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.2 m -132.2 -47.85 0.92 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.362 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.21 -2.71 44.86 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.809 -0.916 . . . . 1.0 110.809 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.603 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -92.38 -50.67 5.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.708 0.29 . . . . 1.0 110.514 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.603 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.89 -47.37 83.64 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.92 -47.54 77.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.836 0.35 . . . . 1.0 110.369 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.479 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.1 t -61.25 -71.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.586 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.479 ' N ' HG12 ' A' ' 49' ' ' VAL . 11.1 mt -41.71 -30.82 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.56 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.0 t90 -76.3 -51.27 12.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.45 -43.95 95.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.527 179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.2 t -58.37 -46.78 89.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.562 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.517 ' O ' ' NE2' ' A' ' 64' ' ' HIS . 1.8 m-85 -58.33 -14.57 7.72 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.645 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.92 5.51 20.5 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.808 -179.791 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.4 -26.81 5.32 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.302 179.774 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.453 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 12.4 tttp -101.73 -31.47 10.77 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.526 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.31 -31.1 31.93 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.52 -16.17 22.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.852 0.358 . . . . 1.0 110.606 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.56 ' CE1' ' CD2' ' A' ' 61' ' ' HIS . 0.3 OUTLIER -70.36 -19.27 63.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.595 -179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.56 ' CD2' ' CE1' ' A' ' 60' ' ' HIS . 0.5 OUTLIER -97.78 7.18 46.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 1.0 110.566 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.1 t60 67.52 -66.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.61 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 61' ' ' HIS . 43.4 m80 -98.06 42.6 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.501 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.517 ' NE2' ' O ' ' A' ' 54' ' ' PHE . 0.8 OUTLIER . . . . . 0 C--O 1.219 -0.505 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.587 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.5 mmt . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.375 -0.602 . . . . 1.0 109.375 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -101.42 131.7 47.38 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.557 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -178.98 156.17 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.518 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.44 113.33 0.46 Allowed Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.84 94.5 0.22 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -160.7 57.48 0.32 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.85 0.357 . . . . 1.0 110.542 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -104.17 154.51 19.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.561 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.451 ' N ' ' OD1' ' A' ' 8' ' ' ASP . 0.6 OUTLIER -88.84 -25.92 21.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.571 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 35.8 t30 41.07 -100.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.634 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 60.7 t80 -41.67 132.52 2.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.602 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER 72.1 38.11 0.92 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 1.0 110.499 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 159.76 28.52 0.02 OUTLIER Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.7 -27.1 2.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.709 0.29 . . . . 1.0 110.624 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -95.22 -29.11 14.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.446 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.7 m-20 -52.61 -34.98 53.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.515 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 15.9 pt20 -95.31 9.84 38.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.132 -0.486 . . . . 1.0 110.458 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.524 ' O ' ' N ' ' A' ' 21' ' ' TYR . 12.3 t -104.41 -48.06 3.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.65 179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -41.51 -25.91 0.06 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.544 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 t -75.7 -39.21 57.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.613 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.505 ' N ' ' O ' ' A' ' 17' ' ' SER . 10.1 mm-40 -104.73 0.54 28.4 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.6 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.524 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.0 t80 -63.19 -29.75 71.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.595 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.6 p -80.16 -12.67 59.63 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.766 -179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.39 -57.19 2.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.716 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -40.17 -35.74 0.43 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.776 -179.843 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.1 tttt -51.74 -40.3 60.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.621 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.1 m -107.74 -17.97 13.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.696 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -104.03 10.28 36.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.734 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -83.11 -2.33 90.55 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.067 -0.813 . . . . 1.0 111.067 -179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.04 33.48 2.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.753 0.311 . . . . 1.0 110.417 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -177.35 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.937 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.0 mm -73.63 -32.62 1.62 Allowed Pre-proline 0 CA--C 1.535 0.365 0 N-CA-C 112.046 0.388 . . . . 1.0 112.046 -179.618 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.6 Cg_exo -59.52 -19.3 51.41 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.768 1.645 . . . . 1.0 111.988 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.88 -67.04 0.47 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.639 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.514 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.55 -40.45 82.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.371 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.521 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -50.52 -49.78 54.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.359 179.826 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 10.1 mmt -61.18 -58.41 8.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.582 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.678 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.6 tp -57.76 -9.45 1.25 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.81 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.468 ' O ' HG12 ' A' ' 38' ' ' VAL . 42.3 t -116.12 -12.54 11.55 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.676 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.521 ' N ' ' O ' ' A' ' 35' ' ' TYR . 85.7 t80 -94.51 -51.55 4.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.358 -0.383 . . . . 1.0 110.524 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.95 -12.04 60.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.588 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.678 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.3 mt -85.81 -41.96 14.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.011 179.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.531 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -84.95 -56.16 2.51 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.433 ' O ' HG22 ' A' ' 43' ' ' THR . 99.6 m -46.02 -14.2 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.806 0.336 . . . . 1.0 110.787 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.507 ' N ' ' O ' ' A' ' 42' ' ' GLY . 1.5 m -108.51 -27.68 9.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.057 -0.519 . . . . 1.0 110.309 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -112.25 17.54 24.07 Favored Glycine 0 CA--C 1.525 0.698 0 N-CA-C 110.92 -0.872 . . . . 1.0 110.92 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.531 ' N ' ' O ' ' A' ' 42' ' ' GLY . 0.0 OUTLIER -139.86 -45.23 0.43 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.834 0.35 . . . . 1.0 110.456 -179.935 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -69.41 -46.52 55.86 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.2 tp -57.45 -49.17 77.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.821 0.343 . . . . 1.0 110.206 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -61.74 -64.62 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.499 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.4 mt -47.64 -29.95 3.34 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.549 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 75.2 t90 -75.55 -49.43 18.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.516 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.462 ' O ' ' N ' ' A' ' 56' ' ' LYS . 1.6 m -61.79 -51.75 67.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.292 179.68 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 78.0 t -51.11 -58.63 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.376 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -43.39 -48.57 7.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.336 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 2.3 mtp85 -75.24 -28.23 59.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.013 -0.539 . . . . 1.0 110.502 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 52' ' ' THR . 3.1 tptm -62.05 -58.69 6.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.623 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.6 mttm -82.43 -14.33 55.31 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.577 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.52 -30.17 41.39 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.923 -0.871 . . . . 1.0 110.923 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -61.9 -6.88 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.817 0.342 . . . . 1.0 110.638 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -142.9 38.58 1.46 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.63 -179.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.476 ' CE1' ' NE2' ' A' ' 62' ' ' HIS . 0.1 OUTLIER -68.6 -176.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.548 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.476 ' NE2' ' CE1' ' A' ' 61' ' ' HIS . 0.0 OUTLIER -81.15 -74.46 0.32 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.523 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -94.38 41.16 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.474 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.424 ' CD2' ' N ' ' A' ' 64' ' ' HIS . 1.6 m170 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.976 -1.012 . . . . 1.0 110.618 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.7 mtt . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.3 pm0 -66.07 153.19 42.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.585 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 55.47 84.49 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.617 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.37 -49.84 0.06 OUTLIER Glycine 0 CA--C 1.526 0.74 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 144.54 -148.15 19.75 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 60.45 52.27 4.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.749 0.309 . . . . 1.0 110.56 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -80.06 39.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.19 0.519 . . . . 1.0 110.479 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -148.67 24.9 0.96 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.883 -0.599 . . . . 1.0 110.521 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.49 ' C ' ' H ' ' A' ' 11' ' ' TYR . 17.5 m120 -51.57 -61.43 2.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -71.7 38.48 0.06 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.056 0.455 . . . . 1.0 110.659 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.493 ' CD2' ' O ' ' A' ' 11' ' ' TYR . 50.4 t80 -168.43 40.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.52 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.82 27.65 0.07 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -110.97 -35.22 6.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.799 0.333 . . . . 1.0 110.443 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 71.0 m-20 -90.18 -31.22 17.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.569 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -48.37 -25.77 1.76 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.526 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 58.1 mt-30 -85.37 -37.49 19.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.5 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 52.1 p -60.86 -53.02 62.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.525 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -59.2 -6.85 1.01 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.595 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -102.66 -35.35 8.73 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.611 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -86.3 -25.75 25.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.53 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 0.9 OUTLIER -51.95 -37.84 54.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.582 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 64.1 p -68.62 -21.75 64.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.521 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.1 OUTLIER -96.03 -57.6 2.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.6 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.441 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -41.94 -46.94 4.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.646 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttp -54.35 -32.14 56.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.625 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.448 ' N ' ' O ' ' A' ' 23' ' ' ASP . 5.1 t -89.92 -48.49 7.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.642 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.9 m -79.84 10.26 4.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.669 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -90.47 9.84 76.31 Favored Glycine 0 CA--C 1.526 0.719 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -108.32 19.8 19.41 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.725 0.297 . . . . 1.0 110.643 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -136.07 -31.5 0.91 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.15 -36.69 5.13 Favored Pre-proline 0 CA--C 1.533 0.292 0 CA-C-N 116.452 -0.34 . . . . 1.0 111.413 179.925 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 23.9 Cg_exo -60.76 -30.85 91.08 Favored 'Trans proline' 0 N--CA 1.493 1.463 0 C-N-CA 122.22 1.947 . . . . 1.0 112.082 -179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.75 -65.49 0.67 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.588 -179.894 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -54.86 -40.42 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.308 -0.405 . . . . 1.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -58.29 -62.9 1.49 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.467 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.8 mmt -57.31 -54.76 43.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.499 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -47.8 -31.73 5.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.547 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.516 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.1 t -95.16 -10.26 9.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.619 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 36' ' ' MET . 10.8 t80 -88.04 -57.9 2.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.563 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -68.75 0.57 4.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.799 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.582 HD12 ' O ' ' A' ' 37' ' ' LEU . 92.0 mt -125.27 -26.61 3.61 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.395 179.793 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -103.01 -2.28 48.76 Favored Glycine 0 CA--C 1.525 0.678 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -140.19 28.86 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 1.0 110.586 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.8 m -135.2 -50.09 0.74 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.462 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.57 -9.57 43.38 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.862 -0.895 . . . . 1.0 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.525 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -77.6 -47.37 19.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.355 . . . . 1.0 110.537 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.525 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.24 -48.97 49.33 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.873 -0.891 . . . . 1.0 110.873 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.6 tp -55.39 -47.27 76.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 1.0 110.379 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.492 HG12 ' N ' ' A' ' 50' ' ' LEU . 15.7 t -60.8 -72.16 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.593 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.492 ' N ' HG12 ' A' ' 49' ' ' VAL . 10.4 mt -41.3 -27.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.607 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.627 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.0 t90 -81.61 -48.94 11.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.634 -179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -66.43 -43.77 84.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.546 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.5 t -59.62 -46.77 92.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.791 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -55.65 -23.83 30.3 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.685 -179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.627 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.2 mtm-85 -97.94 3.59 49.59 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.552 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -121.27 -23.48 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.914 179.482 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -87.67 -33.28 18.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.87 -0.605 . . . . 1.0 110.173 179.685 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.7 -30.14 45.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -61.93 -12.21 16.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.783 0.325 . . . . 1.0 110.634 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 9.3 t-160 -139.63 79.51 1.72 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.559 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 62' ' ' HIS . 2.3 t-80 -82.48 34.37 0.43 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.574 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' CB ' ' O ' ' A' ' 61' ' ' HIS . 2.5 t-80 76.96 -63.45 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.612 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -76.57 42.58 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.553 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.983 -1.008 . . . . 1.0 110.559 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.335 -0.616 . . . . 1.0 109.335 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 46.31 58.1 4.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.515 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.1 mt-10 48.59 72.24 0.3 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.566 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -174.92 50.29 0.13 Allowed Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -102.28 84.69 0.5 Allowed Glycine 0 CA--C 1.525 0.694 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -141.54 42.38 1.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.802 0.334 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.506 ' N ' ' CD1' ' A' ' 7' ' ' PHE . 0.5 OUTLIER 49.07 45.88 22.78 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.622 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -138.67 12.23 2.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.628 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.553 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 5.8 p-10 -48.9 170.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.555 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.446 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.1 t80 58.59 142.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.909 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.2 t80 42.01 40.13 1.53 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.471 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.86 31.29 0.02 OUTLIER Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.922 -0.871 . . . . 1.0 110.922 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.553 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -128.01 -28.5 2.64 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.78 0.324 . . . . 1.0 110.604 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -100.61 -19.98 15.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.552 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -57.65 -21.58 40.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.543 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.5 pt20 -99.99 1.83 42.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.563 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.7 p -98.35 -48.39 5.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.572 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -53.64 -17.85 2.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.611 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.8 m -87.2 -30.32 21.07 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.614 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -91.26 -28.3 17.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.534 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 33.0 t80 -52.21 -31.4 31.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.641 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 7.6 p -82.91 -12.24 57.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.612 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.91 -44.64 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.543 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -56.86 -48.17 78.72 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.22 -0.446 . . . . 1.0 110.595 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -55.35 -20.55 12.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.592 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 58.0 m -96.14 -48.97 5.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.662 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -103.76 32.1 4.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.689 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.28 12.86 3.28 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.82 -0.912 . . . . 1.0 110.82 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -114.06 -18.23 11.74 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.597 0.237 . . . . 1.0 110.641 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -130.31 -16.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 1.0 111.052 -179.714 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 8.2 mm -80.29 -33.93 0.79 Allowed Pre-proline 0 CA--C 1.534 0.339 0 CA-C-N 116.617 -0.265 . . . . 1.0 111.54 179.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.7 Cg_exo -59.98 -29.55 89.59 Favored 'Trans proline' 0 N--CA 1.493 1.5 0 C-N-CA 122.053 1.835 . . . . 1.0 112.045 -179.868 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.89 -70.53 0.1 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.652 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -48.77 -43.25 13.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.449 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -58.24 -61.66 2.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.585 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.468 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -55.62 -57.92 9.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.561 179.917 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.3 tp -46.4 -33.29 3.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.418 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.464 HG12 ' O ' ' A' ' 38' ' ' VAL . 70.4 t -93.28 -12.6 8.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.549 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.468 ' N ' ' O ' ' A' ' 36' ' ' MET . 20.8 t80 -80.62 -49.98 10.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.575 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.45 -2.65 39.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.701 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.519 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 89.6 mt -125.46 0.1 7.6 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.487 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.41 7.88 4.66 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.992 -0.843 . . . . 1.0 110.992 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -149.94 18.63 0.88 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.714 0.292 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 9.9 m -128.39 -48.57 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 1.0 110.202 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.09 -7.8 32.45 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.674 -0.97 . . . . 1.0 110.674 179.754 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.519 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 13.1 m-80 -104.82 -32.25 8.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.826 0.346 . . . . 1.0 110.518 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -80.77 -47.43 6.69 Favored Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.8 tp -57.93 -48.95 78.39 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.772 0.32 . . . . 1.0 110.365 179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.6 t -61.41 -69.67 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.488 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.459 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -45.83 -26.7 0.71 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.562 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.628 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.2 t90 -81.32 -48.48 11.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.619 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -65.7 -43.78 88.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.524 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 15.3 t -59.0 -46.8 91.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.624 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -57.96 -14.55 6.57 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.587 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.628 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.7 4.15 19.83 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.893 -179.898 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -120.02 -27.77 5.28 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.831 0.348 . . . . 1.0 110.442 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.62 -37.24 10.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.595 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.38 -30.54 36.7 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.877 -0.889 . . . . 1.0 110.877 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.629 ' HE2' ' CE1' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -58.64 -21.28 53.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.772 0.32 . . . . 1.0 110.607 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.629 ' CE1' ' HE2' ' A' ' 59' ' ' HIS . 10.2 m80 -95.56 -98.45 0.17 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.557 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 18.9 m-70 -148.72 -176.93 5.52 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.562 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 25.0 t-80 -76.47 108.4 9.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.591 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 15.8 t60 49.52 40.52 19.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.326 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 . . . . . 0 C--O 1.22 -0.473 0 CA-C-O 118.037 -0.982 . . . . 1.0 110.547 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 14.4 mtt . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.325 -0.62 . . . . 1.0 109.325 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -92.23 171.47 9.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.536 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -178.95 -179.76 0.62 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.589 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.35 -105.43 0.06 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.937 -0.865 . . . . 1.0 110.937 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 147.85 120.37 1.15 Allowed Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -144.08 48.7 1.38 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.795 0.331 . . . . 1.0 110.53 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -154.4 -166.91 2.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 44.31 27.72 0.24 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.589 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 9' ' ' ASN . 0.7 OUTLIER -41.65 -77.11 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.553 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 37.6 p90 -41.92 154.54 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.511 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.545 ' C ' HD22 ' A' ' 15' ' ' ASN . 55.4 t80 41.71 42.11 1.99 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.541 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -172.6 -28.78 0.02 OUTLIER Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.412 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -95.47 -25.45 16.22 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.739 0.304 . . . . 1.0 110.413 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -108.62 -17.72 13.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.477 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.545 HD22 ' C ' ' A' ' 11' ' ' TYR . 1.2 m-80 -50.09 -21.06 1.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.56 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -89.98 -43.32 10.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.518 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.518 ' O ' ' N ' ' A' ' 21' ' ' TYR . 31.7 t -55.79 -45.15 78.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.54 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -58.0 -28.88 64.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.558 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -82.24 -34.35 28.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.551 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.2 mt-10 -93.62 -5.7 48.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.526 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.518 ' N ' ' O ' ' A' ' 17' ' ' SER . 20.7 t80 -71.34 -44.0 65.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.607 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.8 p -67.14 -17.92 65.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.559 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -97.08 -50.06 4.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.598 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.522 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER -43.72 -46.25 7.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.543 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -53.53 -31.89 48.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.53 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -90.49 -47.01 7.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.605 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.0 m -84.34 12.97 5.83 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.612 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.522 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.94 4.17 86.22 Favored Glycine 0 CA--C 1.524 0.603 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -100.8 1.87 40.63 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.761 0.315 . . . . 1.0 110.571 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -133.97 -0.65 3.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.638 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 13.8 mt -78.07 -33.3 0.96 Allowed Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.31 -0.405 . . . . 1.0 111.809 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 35.3 Cg_exo -58.21 -36.68 97.56 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 121.924 1.749 . . . . 1.0 112.08 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -51.48 -67.52 0.24 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.673 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.6 mt -56.38 -46.83 82.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.49 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 39' ' ' PHE . 1.0 OUTLIER -41.34 -52.61 3.46 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.57 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -48.73 -67.24 0.29 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.584 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' A' ' 41' ' ' LEU . 1.0 OUTLIER -50.84 -47.34 60.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.043 -0.526 . . . . 1.0 110.638 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.501 HG12 ' O ' ' A' ' 38' ' ' VAL . 39.1 t -73.21 -9.3 12.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.837 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.53 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -97.71 -33.73 11.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.363 -0.38 . . . . 1.0 110.678 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -104.29 -39.49 6.46 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.408 -0.36 . . . . 1.0 110.905 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.412 ' N ' ' O ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -80.47 -39.17 28.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 1.0 110.148 179.804 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 44' ' ' THR . . . -74.98 -52.99 6.49 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.953 -0.859 . . . . 1.0 110.953 179.814 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 2.0 m -64.19 2.9 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 1.0 110.652 -179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.49 ' H ' ' C ' ' A' ' 42' ' ' GLY . 54.3 m -118.26 -33.05 4.5 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.575 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.52 -22.19 22.28 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.938 -0.865 . . . . 1.0 110.938 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.697 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.7 OUTLIER -95.94 -53.1 3.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.81 0.338 . . . . 1.0 110.506 179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.63 -47.81 81.93 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.837 -0.905 . . . . 1.0 110.837 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 45.6 tp -57.62 -49.96 74.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.792 0.33 . . . . 1.0 110.383 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.475 HG12 ' N ' ' A' ' 50' ' ' LEU . 9.0 t -60.32 -69.33 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.59 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.475 ' N ' HG12 ' A' ' 49' ' ' VAL . 87.3 mt -45.8 -28.88 1.16 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.478 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.505 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 72.4 t90 -77.74 -48.72 15.98 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.24 -0.437 . . . . 1.0 110.498 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -62.45 -47.54 83.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.495 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.476 ' C ' ' H ' ' A' ' 55' ' ' ARG . 78.5 t -58.77 -53.64 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.531 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -50.4 -11.09 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.522 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.505 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 5.6 mtp85 -108.46 -17.33 14.01 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.094 -0.503 . . . . 1.0 110.799 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 18.1 pttt -100.79 -25.49 14.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.851 0.358 . . . . 1.0 110.523 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.8 tttt -104.54 -25.48 12.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.985 -0.552 . . . . 1.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.93 -28.94 53.4 Favored Glycine 0 CA--C 1.523 0.545 0 N-CA-C 110.822 -0.911 . . . . 1.0 110.822 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 2.2 t-80 -60.63 -10.91 5.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.808 0.337 . . . . 1.0 110.625 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.477 ' O ' ' CD2' ' A' ' 60' ' ' HIS . 12.5 t-160 -140.85 24.2 2.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.533 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.618 ' CD2' ' N ' ' A' ' 62' ' ' HIS . 18.2 t60 -149.39 161.17 42.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.413 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.618 ' N ' ' CD2' ' A' ' 61' ' ' HIS . 8.2 t60 81.89 -136.21 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.355 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.47 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 0.4 OUTLIER -72.95 38.41 0.08 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.051 0.453 . . . . 1.0 110.075 179.636 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.523 ' H ' ' C ' ' A' ' 62' ' ' HIS . 36.2 t-80 . . . . . 0 C--O 1.219 -0.513 0 CA-C-O 118.04 -0.981 . . . . 1.0 110.721 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.8 mpt? . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.38 -0.6 . . . . 1.0 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -101.23 -173.36 2.35 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.563 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 70.35 129.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.595 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.08 84.73 0.06 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -152.58 34.72 0.82 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 110.871 -0.892 . . . . 1.0 110.871 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -156.77 59.15 0.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 1.0 110.527 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 53.24 83.63 0.06 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.561 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -146.59 46.07 1.2 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.567 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.516 ' O ' ' N ' ' A' ' 13' ' ' ALA . 50.1 t-20 41.51 -108.79 0.1 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.605 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.415 ' N ' ' CG ' ' A' ' 9' ' ' ASN . 99.4 m-85 -41.59 146.06 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.53 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 49.27 40.68 18.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.492 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.07 -27.37 0.03 OUTLIER Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.839 -0.904 . . . . 1.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -91.8 -27.61 17.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.747 0.308 . . . . 1.0 110.481 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' N ' ' A' ' 16' ' ' GLN . 14.5 m-20 -108.73 -16.89 14.08 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.115 -0.493 . . . . 1.0 110.429 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -50.27 -17.09 0.4 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.575 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.401 ' N ' ' C ' ' A' ' 14' ' ' ASP . 6.7 pt20 -82.19 -30.1 31.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.532 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.477 ' O ' ' N ' ' A' ' 20' ' ' GLU . 53.8 p -78.72 -41.93 29.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.551 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -43.3 -39.2 2.96 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.59 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -62.9 -32.46 73.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.542 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.0 mm-40 -91.97 -24.07 19.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.547 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.457 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.6 t80 -52.98 -39.0 62.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.2 -0.455 . . . . 1.0 110.547 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 38.3 p -68.45 -18.77 64.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.632 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -95.43 -47.04 6.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.568 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.0 OUTLIER -45.78 -54.17 8.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.599 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 43.1 tttt -52.56 -23.54 6.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.608 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.93 -50.72 5.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.609 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.4 m -85.85 11.28 11.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.84 6.72 77.41 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 110.909 -0.876 . . . . 1.0 110.909 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -102.37 1.54 35.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.714 0.293 . . . . 1.0 110.633 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -135.46 0.91 2.82 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.68 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 12.6 mt -77.6 -33.45 1.03 Allowed Pre-proline 0 CA--C 1.534 0.359 0 CA-C-N 116.271 -0.422 . . . . 1.0 111.768 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 39.3 Cg_exo -57.74 -48.72 15.61 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.93 1.753 . . . . 1.0 112.093 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.63 -68.79 0.17 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.588 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.99 -54.54 3.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.211 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -41.99 -63.72 0.69 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.408 179.802 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.6 -64.89 0.6 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.05 -0.523 . . . . 1.0 110.803 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.5 tt -52.32 -25.26 9.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 1.0 111.009 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.2 t -105.99 7.76 9.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.47 -0.332 . . . . 1.0 110.88 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.532 ' N ' ' O ' ' A' ' 35' ' ' TYR . 56.8 t80 -115.12 -22.92 9.25 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.39 -0.368 . . . . 1.0 110.91 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.02 1.27 28.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.355 -0.384 . . . . 1.0 110.69 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -102.32 -62.85 1.21 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.286 -0.416 . . . . 1.0 111.368 -179.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -101.05 9.64 58.11 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.997 -0.62 . . . . 1.0 112.06 -178.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -132.58 29.7 4.18 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.944 0.402 . . . . 1.0 110.669 179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.3 m -135.2 -48.64 0.72 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.022 -0.536 . . . . 1.0 110.256 179.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.11 -0.15 38.42 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.766 -0.934 . . . . 1.0 110.766 179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -102.25 -58.7 1.83 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.8 0.333 . . . . 1.0 110.633 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.13 67.71 Favored Glycine 0 CA--C 1.524 0.615 0 N-CA-C 110.803 -0.919 . . . . 1.0 110.803 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.2 tp -58.77 -51.18 71.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.846 0.355 . . . . 1.0 110.339 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -59.77 -68.81 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.527 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' N ' HG12 ' A' ' 49' ' ' VAL . 81.7 mt -45.59 -27.91 0.86 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.594 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.2 t90 -79.98 -48.19 13.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.644 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -65.07 -39.8 93.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.436 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 t -62.66 -46.09 97.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.686 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.75 -14.38 5.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 1.0 110.68 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.96 3.51 18.82 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.848 -179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.6 ptmt -118.96 -27.45 5.75 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.44 -0.346 . . . . 1.0 110.317 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 5.0 tttp -101.67 -33.08 10.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.475 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.15 -30.11 38.94 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -60.55 -14.69 21.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.802 0.334 . . . . 1.0 110.558 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 21.1 t-160 -137.82 94.1 2.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.597 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -71.75 -150.86 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.308 -0.406 . . . . 1.0 110.558 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -80.86 -80.86 0.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.522 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 5.1 t-80 -97.74 43.5 1.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.564 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.461 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.016 -0.993 . . . . 1.0 110.55 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.0 mtt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.355 -0.609 . . . . 1.0 109.355 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 3' ' ' GLU . 9.8 mm-40 -101.27 140.57 35.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.597 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 2' ' ' GLU . 5.9 mt-10 43.98 -168.87 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.545 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.45 -71.02 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.69 178.26 51.32 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 0.3 OUTLIER -144.51 41.6 1.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.898 0.38 . . . . 1.0 110.614 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -59.78 105.42 0.38 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.121 -0.491 . . . . 1.0 110.611 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -146.14 -42.53 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.584 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.504 ' C ' ' H ' ' A' ' 11' ' ' TYR . 59.5 t-20 49.45 -84.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.063 -0.517 . . . . 1.0 111.056 179.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' N ' ' O ' ' A' ' 8' ' ' ASP . 50.9 t80 -70.06 38.98 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.467 -0.333 . . . . 1.0 110.792 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.504 ' H ' ' C ' ' A' ' 9' ' ' ASN . 1.9 t80 -172.98 38.26 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.145 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.92 28.82 0.03 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -121.71 -29.95 4.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.851 0.357 . . . . 1.0 110.573 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 27.1 p30 -92.05 -24.49 19.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.536 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.44 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 33.0 m-20 -56.49 -21.24 24.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.538 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -88.63 -28.67 20.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.545 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.515 ' O ' ' N ' ' A' ' 20' ' ' GLU . 83.6 p -71.86 -55.12 8.12 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.604 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -43.94 -24.09 0.12 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.587 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 m -84.37 -32.06 24.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.569 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.515 ' N ' ' O ' ' A' ' 17' ' ' SER . 57.5 mm-40 -89.17 -17.49 29.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.566 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.532 ' CD1' ' N ' ' A' ' 22' ' ' THR . 0.1 OUTLIER -76.36 -43.6 40.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.558 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.532 ' N ' ' CD1' ' A' ' 21' ' ' TYR . 2.6 t -69.05 -16.85 63.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.493 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -102.92 -42.57 5.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.537 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.459 ' O ' ' N ' ' A' ' 28' ' ' GLY . 10.3 t90 -46.97 -44.23 19.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.555 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt -49.31 -40.17 33.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.428 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.41 -45.7 10.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.562 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -73.19 4.12 4.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.557 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.43 -8.85 80.27 Favored Glycine 0 CA--C 1.524 0.612 0 N-CA-C 110.796 -0.922 . . . . 1.0 110.796 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.53 43.41 1.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.885 0.374 . . . . 1.0 110.314 179.859 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -172.6 -28.14 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.081 -0.509 . . . . 1.0 111.076 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.615 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.3 mt -72.97 -33.63 2.11 Favored Pre-proline 0 CA--C 1.535 0.393 0 N-CA-C 111.869 0.322 . . . . 1.0 111.869 -179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.615 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 30.6 Cg_exo -59.33 -30.76 93.64 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 121.91 1.74 . . . . 1.0 112.017 -179.873 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.75 -67.56 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.603 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.25 -40.01 22.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.469 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -60.56 -61.61 2.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.507 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -61.36 -54.42 44.03 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.587 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.9 OUTLIER -47.38 -29.92 2.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.528 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 47.6 t -92.07 -24.63 5.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.576 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 41' ' ' LEU . 1.7 t80 -75.47 -58.77 3.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.634 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -64.07 0.44 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.519 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.633 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.9 mt -97.74 -59.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.511 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.65 9.99 66.55 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 111.004 -0.838 . . . . 1.0 111.004 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.425 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.28 32.37 3.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.791 0.329 . . . . 1.0 110.54 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.0 m -136.1 -52.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.103 -0.498 . . . . 1.0 110.453 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.37 -12.46 41.75 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.783 -0.927 . . . . 1.0 110.783 179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.607 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -76.99 -53.62 7.59 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.848 0.356 . . . . 1.0 110.589 179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.607 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -61.1 -53.9 41.09 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.918 -0.873 . . . . 1.0 110.918 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.1 tp -49.65 -50.6 42.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.804 0.335 . . . . 1.0 110.334 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 17.7 t -60.91 -73.25 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.495 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.8 mt -44.35 -25.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.524 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.62 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 70.3 t90 -80.98 -46.66 14.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.12 -40.9 86.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.446 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.9 t -61.25 -42.22 92.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.664 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -62.87 -14.45 46.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.63 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.62 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.2 mtm-85 -109.99 -13.71 14.37 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.757 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -100.65 -29.24 12.42 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.823 0.344 . . . . 1.0 110.32 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.7 tttp -101.56 -25.72 13.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.531 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.96 -30.08 44.25 Favored Glycine 0 CA--C 1.523 0.574 0 N-CA-C 110.854 -0.898 . . . . 1.0 110.854 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.2 t-160 -59.89 -59.62 5.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.853 0.359 . . . . 1.0 110.554 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.529 ' O ' ' N ' ' A' ' 62' ' ' HIS . 52.1 m-70 -53.1 -83.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.566 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 6.4 t-80 61.16 -71.68 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.955 179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' N ' ' O ' ' A' ' 60' ' ' HIS . 50.1 p-80 -64.24 117.44 7.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.382 -0.372 . . . . 1.0 110.634 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.48 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 23.7 t-80 46.98 37.71 5.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.203 -179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.484 ' ND1' ' OXT' ' A' ' 64' ' ' HIS . 32.7 p80 . . . . . 0 C--O 1.219 -0.502 0 CA-C-O 118.007 -0.997 . . . . 1.0 110.685 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.489 1.479 0 N-CA-C 109.439 -0.578 . . . . 1.0 109.439 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -100.99 103.4 14.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.596 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -178.63 -177.64 0.54 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.53 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.82 132.21 7.68 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.91 -0.876 . . . . 1.0 110.91 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.61 -124.18 4.83 Favored Glycine 0 CA--C 1.525 0.708 0 N-CA-C 110.963 -0.855 . . . . 1.0 110.963 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 4.6 p30 -151.19 57.16 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.843 0.354 . . . . 1.0 110.593 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.463 ' C ' ' H ' ' A' ' 9' ' ' ASN . 1.5 m-85 -48.2 176.47 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.632 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -63.34 0.99 0.57 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.58 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.503 ' O ' ' N ' ' A' ' 11' ' ' TYR . 8.3 t-20 -56.16 -33.75 65.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.564 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.436 ' CG ' ' OD2' ' A' ' 14' ' ' ASP . 22.0 t80 -63.23 70.45 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.6 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.503 ' N ' ' O ' ' A' ' 9' ' ' ASN . 7.2 t80 41.3 41.63 1.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.581 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 42.72 59.41 3.23 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.954 -0.859 . . . . 1.0 110.954 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -137.59 -35.44 0.66 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.787 0.327 . . . . 1.0 110.603 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 10' ' ' TYR . 83.3 m-20 -75.82 -35.71 59.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.59 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -58.08 -28.88 64.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.556 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -96.91 -12.06 23.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.608 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 9.0 p -89.06 -46.24 9.0 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.603 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -57.86 -20.6 37.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.54 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.84 -34.42 69.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.503 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -92.32 -18.41 23.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.595 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.444 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 25.0 t80 -58.09 -37.07 73.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.572 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.1 p -72.25 -12.56 61.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.598 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -101.36 -47.03 4.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.583 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -47.46 -49.8 24.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.596 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.1 tttt -47.82 -32.03 5.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.528 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.7 m -91.18 -45.98 8.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.547 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.8 m -76.73 4.56 9.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.585 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.95 -7.87 80.12 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.7 43.0 1.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.918 0.389 . . . . 1.0 110.241 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp -172.32 -28.46 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.96 -0.563 . . . . 1.0 111.02 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 21.9 mt -72.68 -34.14 2.45 Favored Pre-proline 0 CA--C 1.534 0.365 0 N-CA-C 111.884 0.327 . . . . 1.0 111.884 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.606 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.0 Cg_exo -58.37 -29.35 87.95 Favored 'Trans proline' 0 N--CA 1.495 1.561 0 C-N-CA 121.945 1.763 . . . . 1.0 111.992 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.01 -67.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.613 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -51.27 -41.72 25.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 1.0 110.29 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -58.9 -62.16 2.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.497 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.483 ' O ' ' N ' ' A' ' 39' ' ' PHE . 5.5 mmt -60.39 -55.41 33.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.557 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.4 tp -46.17 -29.93 1.75 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.463 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.455 HG12 ' O ' ' A' ' 38' ' ' VAL . 53.7 t -96.85 -13.64 8.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.621 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.483 ' N ' ' O ' ' A' ' 36' ' ' MET . 13.7 t80 -82.38 -55.63 4.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.647 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -71.35 -2.81 17.64 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.755 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.497 HD12 ' O ' ' A' ' 37' ' ' LEU . 89.2 mt -124.63 -5.01 7.63 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.313 -0.403 . . . . 1.0 110.47 179.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -134.26 6.25 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.964 -0.854 . . . . 1.0 110.964 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 3.0 m -152.55 26.73 0.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.972 -0.291 . . . . 1.0 110.591 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.95 -46.89 1.24 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.049 -0.523 . . . . 1.0 110.354 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.05 5.26 10.42 Favored Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.656 -0.978 . . . . 1.0 110.656 179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.481 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 12.3 m-80 -103.39 -50.53 3.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 1.0 110.568 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -66.45 -47.05 72.79 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.921 -0.872 . . . . 1.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.2 tp -55.53 -48.39 74.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.788 0.328 . . . . 1.0 110.375 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.487 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.0 t -60.35 -71.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.531 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.487 ' N ' HG12 ' A' ' 49' ' ' VAL . 7.6 mt -41.5 -29.77 0.18 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.561 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.61 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 76.7 t90 -79.0 -50.83 10.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.587 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.4 m -59.42 -44.78 92.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.581 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.3 t -57.57 -51.72 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.515 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -25.62 10.61 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.525 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.61 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 0.2 OUTLIER -91.93 -15.51 27.93 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.572 -179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' O ' ' ND1' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -101.07 -20.84 15.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.364 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 -11.44 15.77 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.294 179.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -82.72 -33.83 23.64 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.94 -0.864 . . . . 1.0 110.94 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.615 ' CD2' ' N ' ' A' ' 60' ' ' HIS . 6.1 p-80 -42.94 -33.46 0.79 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.858 0.361 . . . . 1.0 110.325 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.615 ' N ' ' CD2' ' A' ' 59' ' ' HIS . 9.5 t-80 -66.88 -123.67 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.06 -0.518 . . . . 1.0 110.67 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.583 ' ND1' ' CE1' ' A' ' 60' ' ' HIS . 32.7 m170 -99.49 -165.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.62 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.519 ' O ' ' CD2' ' A' ' 63' ' ' HIS . 57.0 m80 -85.71 127.54 34.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.562 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.52 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 31.1 p80 42.03 38.88 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.243 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.425 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 1.4 t60 . . . . . 0 C--O 1.221 -0.425 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.642 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -152.77 163.08 40.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.555 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -172.57 93.52 0.12 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.568 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.21 67.28 0.04 OUTLIER Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 46.89 -169.08 0.05 OUTLIER Glycine 0 CA--C 1.525 0.717 0 N-CA-C 110.903 -0.879 . . . . 1.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 17.7 t0 62.99 55.01 2.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.839 0.352 . . . . 1.0 110.6 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -73.84 47.33 0.25 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.542 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -141.95 8.22 1.87 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.533 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.559 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 0.6 OUTLIER -52.78 171.09 0.06 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.524 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.475 ' O ' ' CB ' ' A' ' 11' ' ' TYR . 7.4 t80 52.8 109.04 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.918 179.814 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.475 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.8 t80 79.74 40.94 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.524 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.37 25.42 0.05 OUTLIER Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.559 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -128.3 -26.91 2.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.726 0.298 . . . . 1.0 110.539 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -91.29 -31.61 16.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.605 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.46 ' ND2' ' C ' ' A' ' 15' ' ' ASN . 0.5 OUTLIER -52.69 -28.39 21.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.567 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -91.51 -17.36 25.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.539 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.1 p -88.18 -39.65 14.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.563 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -48.38 -22.38 0.69 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.585 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 84.6 m -70.69 -33.93 71.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.562 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -92.08 -28.88 16.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.542 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -51.74 -30.12 21.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.4 p -81.74 -14.65 56.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.583 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.8 -53.52 3.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.301 -0.409 . . . . 1.0 110.636 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -46.06 -40.16 10.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.594 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 51.5 tttt -57.38 -28.74 63.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.614 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.1 m -99.23 -33.82 10.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.617 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -90.67 12.77 17.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.589 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.54 8.48 79.74 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.062 -0.815 . . . . 1.0 111.062 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.76 21.27 17.67 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.688 0.28 . . . . 1.0 110.601 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -137.56 -30.78 0.82 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.34 -0.391 . . . . 1.0 110.942 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.628 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -71.18 -36.71 5.12 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.539 -0.301 . . . . 1.0 111.489 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.628 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.64 -42.08 42.34 Favored 'Trans proline' 0 N--CA 1.495 1.584 0 C-N-CA 122.14 1.893 . . . . 1.0 112.0 -179.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.32 -63.11 1.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.605 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.492 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.69 -53.7 12.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.209 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.434 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -44.53 -52.15 8.24 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.414 179.795 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.463 ' C ' ' H ' ' A' ' 38' ' ' VAL . 0.0 OUTLIER -61.85 -61.7 2.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.482 . . . . 1.0 110.606 179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.8 tp -55.49 -5.8 0.15 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.785 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 38' ' ' VAL . 54.6 t -121.25 -6.48 9.75 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.297 -0.411 . . . . 1.0 110.632 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' N ' ' O ' ' A' ' 35' ' ' TYR . 79.2 t80 -106.33 -17.19 14.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.322 -0.399 . . . . 1.0 110.796 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.0 pp -117.47 -16.03 10.23 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.296 -0.411 . . . . 1.0 110.88 -179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.842 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -113.46 -42.92 3.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.11 -0.495 . . . . 1.0 109.874 179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -88.49 -0.41 82.19 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.152 -0.779 . . . . 1.0 111.152 179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.3 m -135.34 23.01 3.46 Favored 'General case' 0 C--N 1.333 -0.148 0 C-N-CA 120.915 -0.314 . . . . 1.0 110.777 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 16.8 m -130.68 -48.63 1.05 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.337 179.748 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.98 -4.04 41.98 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 1.7 m-80 -100.72 -57.74 2.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.79 0.329 . . . . 1.0 110.544 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.64 -43.71 59.58 Favored Glycine 0 CA--C 1.523 0.563 0 N-CA-C 110.792 -0.923 . . . . 1.0 110.792 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.0 tp -60.24 -50.34 74.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.863 0.363 . . . . 1.0 110.264 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.5 t -60.46 -67.94 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.479 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.488 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 78.3 mt -45.91 -28.51 1.14 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.494 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 73.7 t90 -78.99 -48.74 13.91 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.521 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.8 m -62.79 -43.86 97.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.497 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' LYS . 70.0 t -64.4 -50.11 77.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.53 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.488 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.1 m-85 -49.3 -12.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.494 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' N ' ' C ' ' A' ' 53' ' ' VAL . 7.3 mtp85 -103.95 -21.81 13.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.647 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.468 ' N ' ' O ' ' A' ' 53' ' ' VAL . 1.9 ptmm? -94.5 -29.38 14.96 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.436 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 tttt -100.78 -13.47 18.42 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.554 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.72 -32.56 24.03 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.904 -0.878 . . . . 1.0 110.904 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -56.52 -13.03 2.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.775 0.321 . . . . 1.0 110.536 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 72.4 m-70 -138.43 90.28 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.593 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 89.1 m-70 -64.83 -123.13 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.545 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -98.62 -72.87 0.64 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.564 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -89.44 53.96 2.77 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.524 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.3 p-80 . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 117.98 -1.01 . . . . 1.0 110.564 179.953 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mtt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.393 -0.595 . . . . 1.0 109.393 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -151.62 159.96 43.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.529 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.409 ' CG ' ' N ' ' A' ' 4' ' ' GLY . 18.3 tt0 -53.13 161.15 0.9 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.581 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' CG ' ' A' ' 3' ' ' GLU . . . -138.6 -86.69 0.16 Allowed Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.11 106.3 2.23 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.929 -0.869 . . . . 1.0 110.929 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.478 ' OD2' ' CH2' ' A' ' 51' ' ' TRP . 0.8 OUTLIER 178.36 61.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.858 0.361 . . . . 1.0 110.577 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.6 m-85 -48.12 138.23 9.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.511 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.31 -37.25 26.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.534 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.699 HD22 ' H ' ' A' ' 10' ' ' TYR . 7.5 p-10 37.94 -122.55 0.24 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.047 -0.524 . . . . 1.0 111.062 179.762 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.699 ' H ' HD22 ' A' ' 9' ' ' ASN . 1.1 t80 -38.82 125.57 1.48 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.705 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 3.1 t80 79.19 37.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.42 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 176.55 -23.96 0.06 OUTLIER Glycine 0 CA--C 1.523 0.572 0 N-CA-C 111.159 -0.776 . . . . 1.0 111.159 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -113.23 -20.6 11.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.878 0.371 . . . . 1.0 110.427 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 10.8 p-10 -101.5 -20.22 15.2 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.065 -0.516 . . . . 1.0 110.508 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -61.99 -32.74 73.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.089 -0.505 . . . . 1.0 110.579 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -101.49 3.03 39.83 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.589 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.514 ' O ' ' N ' ' A' ' 21' ' ' TYR . 3.4 p -101.81 -37.4 8.3 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.679 -179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -46.78 -26.48 0.96 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.329 -0.396 . . . . 1.0 110.513 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.8 t -92.06 -28.82 16.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.459 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.432 ' HG2' ' H ' ' A' ' 24' ' ' TRP . 32.8 tt0 -91.62 -9.52 43.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.23 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.514 ' N ' ' O ' ' A' ' 17' ' ' SER . 2.5 t80 -47.04 -35.65 7.06 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.599 179.813 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 77.8 p -74.49 -21.61 59.48 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.963 -0.562 . . . . 1.0 110.978 -179.612 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.73 -57.22 2.07 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.115 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.448 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -38.35 -40.15 0.51 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.337 -0.392 . . . . 1.0 111.197 -179.503 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.448 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 27.5 tttt -45.48 -38.72 6.49 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.873 0.368 . . . . 1.0 110.574 -179.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 24.6 t -109.11 -37.23 5.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.94 -0.573 . . . . 1.0 110.708 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -91.61 25.3 2.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.711 -179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -125.4 28.63 4.99 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.724 -0.95 . . . . 1.0 110.724 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -128.34 15.32 6.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.722 0.296 . . . . 1.0 110.675 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.85 -36.71 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.364 -0.38 . . . . 1.0 110.887 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -74.06 -35.15 2.26 Favored Pre-proline 0 CA--C 1.534 0.348 0 CA-C-N 116.491 -0.322 . . . . 1.0 111.773 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 31.5 Cg_exo -56.41 -19.9 30.66 Favored 'Trans proline' 0 N--CA 1.495 1.572 0 C-N-CA 122.014 1.809 . . . . 1.0 112.092 -179.546 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.93 -70.31 0.21 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.327 -0.397 . . . . 1.0 110.472 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.6 mt -58.07 -46.25 88.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.359 -0.382 . . . . 1.0 110.037 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.476 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -42.43 -56.09 3.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.003 179.706 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.6 mmt -55.19 -58.31 8.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 1.0 110.215 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.495 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.1 tp -47.65 -41.55 22.46 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.294 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 55.3 t -81.31 -22.26 10.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.073 -0.512 . . . . 1.0 111.031 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.476 ' N ' ' O ' ' A' ' 35' ' ' TYR . 28.3 t80 -78.25 -59.49 2.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.825 0.345 . . . . 1.0 110.704 -179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -63.2 0.99 0.53 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 1.0 110.501 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.495 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.6 mt -95.33 -74.01 0.57 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 1.0 110.79 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -90.3 13.66 64.52 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.451 -0.659 . . . . 1.0 111.451 -179.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.428 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.7 26.64 4.36 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.749 0.309 . . . . 1.0 110.571 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -129.44 -50.1 1.17 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.063 179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.2 2.62 29.78 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.536 -1.026 . . . . 1.0 110.536 179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -118.82 -66.24 1.09 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.851 0.357 . . . . 1.0 110.523 -179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.5 ' O ' ' N ' ' A' ' 51' ' ' TRP . . . -59.68 -51.27 60.05 Favored Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.945 -0.862 . . . . 1.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 2.3 tp -49.96 -46.94 52.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.678 0.275 . . . . 1.0 110.581 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.8 t -63.47 -61.42 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.343 -0.389 . . . . 1.0 110.34 179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 85.9 mt -58.51 -23.3 57.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.451 179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.623 ' CH2' ' NE ' ' A' ' 55' ' ' ARG . 76.6 t90 -84.04 -40.02 18.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.543 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 51.9 m -74.5 -49.0 23.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.075 -0.511 . . . . 1.0 110.427 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 29.1 t -56.09 -35.19 40.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.517 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -72.78 -15.06 61.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.545 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.623 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 1.5 mtp85 -106.22 6.07 30.44 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.717 -179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.28 -24.81 8.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.317 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 26.8 mttp -100.48 -30.66 11.69 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.5 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.48 -36.55 7.98 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 111.061 -0.816 . . . . 1.0 111.061 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -63.71 -31.58 72.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.715 0.293 . . . . 1.0 110.542 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 40.1 m170 -67.2 -108.81 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.529 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.436 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 15.2 t-160 -162.33 -90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.568 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.436 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 1.6 m-70 -140.71 -31.13 0.62 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.586 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.401 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 43.9 m80 -128.92 42.41 3.32 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.597 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.401 ' OXT' ' O ' ' A' ' 63' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.034 -0.984 . . . . 1.0 110.595 -179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.345 -0.613 . . . . 1.0 109.345 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 64.9 mm-40 -100.49 139.02 36.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.542 -179.966 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -57.81 171.62 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.497 -179.929 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.46 119.93 0.91 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.965 -0.854 . . . . 1.0 110.965 179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -76.72 -76.92 0.81 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.912 -0.875 . . . . 1.0 110.912 -179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -156.84 60.15 0.53 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.825 0.345 . . . . 1.0 110.583 -179.95 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.8 m-85 50.98 57.63 6.45 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.567 179.97 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -155.97 32.9 0.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.581 179.982 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 13' ' ' ALA . 0.5 OUTLIER -52.64 -80.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.567 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.68 141.55 0.77 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.585 179.978 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 t80 58.18 41.74 23.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.514 -179.996 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.87 -29.91 0.07 OUTLIER Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.926 -0.87 . . . . 1.0 110.926 -179.993 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 9' ' ' ASN . . . -99.98 -23.13 15.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.528 179.958 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -109.4 -14.11 14.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.46 179.975 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -58.11 -21.82 48.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.462 -179.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -85.91 -12.62 50.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.461 ' C ' ' H ' ' A' ' 19' ' ' CYS . 17.6 p -95.18 -39.87 9.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.567 180.0 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -56.64 -5.3 0.21 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.591 179.997 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.461 ' H ' ' C ' ' A' ' 17' ' ' SER . 6.3 t -100.94 -39.6 7.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.584 179.952 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -88.94 -13.97 37.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 -179.943 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.439 ' C ' ' H ' ' A' ' 23' ' ' ASP . 0.5 OUTLIER -69.41 -42.14 75.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.571 -179.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -73.11 13.06 0.45 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.606 179.96 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.439 ' H ' ' C ' ' A' ' 21' ' ' TYR . 31.9 m-20 -137.15 -35.52 0.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.542 179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.469 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -58.93 -35.65 73.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.106 -0.497 . . . . 1.0 110.543 -179.989 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.5 tttp -52.65 -36.62 57.08 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.618 179.983 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.29 -43.5 7.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.563 179.966 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 43.3 m -87.31 21.13 2.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -84.44 -4.39 87.87 Favored Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.958 -0.857 . . . . 1.0 110.958 179.968 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.16 31.82 1.4 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.792 0.329 . . . . 1.0 110.564 179.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -168.96 -34.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.509 179.965 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.417 ' N ' ' HD2' ' A' ' 32' ' ' PRO . 14.8 mt -56.64 -59.88 10.95 Favored Pre-proline 0 CA--C 1.535 0.386 0 CA-C-N 116.145 -0.48 . . . . 1.0 111.225 179.945 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.417 ' HD2' ' N ' ' A' ' 31' ' ' ILE . 9.9 Cg_endo -53.07 -51.57 10.77 Favored 'Trans proline' 0 N--CA 1.495 1.56 0 C-N-CA 121.896 1.731 . . . . 1.0 112.099 179.69 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -43.9 -67.27 0.29 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.74 -179.926 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.19 -45.82 31.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.39 -179.946 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -52.31 -61.31 2.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 1.0 110.52 179.933 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.42 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -56.38 -59.09 5.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.426 . . . . 1.0 110.586 179.973 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.66 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.7 tp -48.18 -27.86 2.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.583 179.963 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -95.03 -19.02 6.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.594 -179.943 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.43 ' C ' ' H ' ' A' ' 41' ' ' LEU . 15.5 t80 -83.37 -56.88 3.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.556 -179.922 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.407 ' O ' ' OG1' ' A' ' 44' ' ' THR . 1.8 pp -65.54 0.96 1.34 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.543 -179.954 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.66 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -98.32 -60.74 1.49 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.517 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.79 3.9 83.27 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 110.974 -0.85 . . . . 1.0 110.974 -179.922 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.97 36.69 3.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 1.0 110.518 -179.997 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 50.9 m -136.32 -51.6 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.448 179.94 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.47 -23.38 10.31 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 110.812 -0.915 . . . . 1.0 110.812 179.871 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.51 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -56.7 -46.81 81.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.79 0.329 . . . . 1.0 110.502 179.883 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.51 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -68.68 -51.15 31.94 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.834 -0.906 . . . . 1.0 110.834 -179.999 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 5.6 tp -57.24 -43.86 83.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.861 0.362 . . . . 1.0 110.444 -179.988 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 5.6 t -59.83 -60.34 2.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.318 179.884 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 10.1 mt -53.73 -27.03 26.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.839 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.631 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.9 t90 -79.3 -48.2 14.52 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.672 -179.852 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -67.16 -42.4 84.36 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.652 179.992 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.492 ' O ' ' N ' ' A' ' 57' ' ' LYS . 59.0 t -59.9 -43.19 91.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.824 -179.756 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.51 -35.64 63.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.913 -179.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.631 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.0 mtm-85 -84.42 -6.74 59.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.671 -179.822 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 -18.15 12.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.994 0.426 . . . . 1.0 109.904 179.601 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.522 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 0.7 OUTLIER -108.31 -34.29 6.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.814 -0.63 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.462 ' O ' ' CE1' ' A' ' 61' ' ' HIS . . . -76.63 -25.36 65.37 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.873 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 -59.18 -19.05 41.81 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.812 0.339 . . . . 1.0 110.674 -179.94 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.522 ' ND1' ' O ' ' A' ' 57' ' ' LYS . 0.1 OUTLIER -79.52 35.2 0.28 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.287 -0.415 . . . . 1.0 110.666 -179.958 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.462 ' CE1' ' O ' ' A' ' 58' ' ' GLY . 81.2 m-70 -56.12 -110.57 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.509 179.976 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.5 t-80 -102.31 -69.52 0.78 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.495 -179.959 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.457 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 6.5 p80 -90.32 60.48 4.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.503 -179.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 22.6 t-160 . . . . . 0 C--O 1.219 -0.506 0 CA-C-O 118.011 -0.995 . . . . 1.0 110.582 -179.96 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.388 -0.597 . . . . 1.0 109.388 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 24.2 mt-10 -138.44 62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.597 179.974 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 62.09 -171.46 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.581 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.67 -124.99 1.62 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 111.001 -0.84 . . . . 1.0 111.001 179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.86 -51.26 0.77 Allowed Glycine 0 CA--C 1.525 0.672 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -177.81 67.95 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 1.0 110.544 -179.973 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -51.33 170.34 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.564 179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.49 ' O ' ' N ' ' A' ' 10' ' ' TYR . 62.0 m-20 -84.2 8.8 14.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.537 -179.918 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.405 ' OD1' ' CB ' ' A' ' 13' ' ' ALA . 39.3 t-20 41.36 -93.19 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.586 179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' ASP . 4.0 m-85 -41.89 154.93 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.509 179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 42.98 39.41 1.77 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.472 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.29 27.18 0.02 OUTLIER Glycine 0 CA--C 1.524 0.594 0 N-CA-C 110.894 -0.882 . . . . 1.0 110.894 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.405 ' CB ' ' OD1' ' A' ' 9' ' ' ASN . . . -127.99 -27.96 2.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.754 0.312 . . . . 1.0 110.547 179.992 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -96.31 -28.02 14.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.547 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -27.21 4.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.426 ' O ' ' OE1' ' A' ' 20' ' ' GLU . 6.5 pt20 -95.52 -16.19 22.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.534 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 54.4 p -79.19 -39.79 32.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.579 -179.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 53.9 mt-10 -45.6 -39.33 7.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.563 -179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 14.3 t -58.51 -30.41 67.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.539 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.452 ' CD ' ' N ' ' A' ' 20' ' ' GLU . 5.5 mp0 -90.76 -26.16 19.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.525 179.964 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 30.0 t80 -55.81 -46.06 78.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.541 -179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 73.2 p -59.29 -25.27 63.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.557 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.467 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.3 OUTLIER -88.85 -49.07 7.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.607 -179.944 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.525 ' O ' ' N ' ' A' ' 28' ' ' GLY . 1.1 t90 -41.66 -57.26 2.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.598 -179.982 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.444 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 15.0 tttp -47.3 -28.17 1.88 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 1.0 110.586 -179.975 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 23' ' ' ASP . 0.8 OUTLIER -90.41 -49.04 6.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.543 -179.961 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -78.3 3.29 15.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.64 179.988 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.1 -7.55 80.17 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.899 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.59 42.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.879 0.371 . . . . 1.0 110.296 179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 pp -171.14 -28.72 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.008 -0.542 . . . . 1.0 111.009 -179.883 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.603 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 22.1 mt -72.38 -34.14 2.6 Favored Pre-proline 0 CA--C 1.534 0.346 0 N-CA-C 111.854 0.316 . . . . 1.0 111.854 -179.86 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.603 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 34.0 Cg_exo -58.94 -29.1 89.54 Favored 'Trans proline' 0 N--CA 1.496 1.619 0 C-N-CA 121.938 1.759 . . . . 1.0 111.989 -179.916 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.47 -67.41 0.31 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.51 179.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.92 -40.71 20.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.305 179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -60.57 -60.71 3.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.411 179.985 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.466 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -58.39 -55.64 32.42 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.505 179.919 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.447 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.6 tp -46.92 -33.11 4.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.428 179.897 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.1 t -93.06 -12.12 8.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.591 179.938 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.466 ' N ' ' O ' ' A' ' 36' ' ' MET . 11.3 t80 -82.31 -53.7 5.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.616 179.962 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.15 -0.93 18.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.725 -179.95 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.521 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 92.2 mt -126.07 -4.36 6.87 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.447 179.83 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -127.82 6.76 6.93 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.932 -0.867 . . . . 1.0 110.932 179.985 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -146.96 11.8 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.717 0.294 . . . . 1.0 110.646 -179.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 5.2 m -122.12 -34.73 3.28 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.442 179.948 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -131.55 23.93 4.2 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.958 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.521 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 14.0 m-80 -135.87 -44.62 0.65 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.839 0.352 . . . . 1.0 110.485 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -74.21 -41.98 37.07 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 -179.999 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 41.7 tp -58.79 -50.83 72.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.766 0.317 . . . . 1.0 110.465 179.959 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.401 HG12 ' N ' ' A' ' 50' ' ' LEU . 21.0 t -58.73 -68.83 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.493 179.979 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.401 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.5 mt -44.28 -29.93 0.73 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.515 179.993 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -79.79 -45.14 19.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.555 179.98 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 71.3 m -66.38 -45.86 78.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.495 -179.954 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 t -58.67 -46.15 90.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.525 -179.965 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -55.04 -18.67 5.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.506 179.991 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.7 mtp85 -96.29 -10.06 28.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.686 -179.922 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 -28.61 10.43 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.301 179.857 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.65 -23.0 22.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.438 179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.49 -28.27 57.86 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.842 -0.903 . . . . 1.0 110.842 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -55.87 -27.02 49.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.812 0.339 . . . . 1.0 110.666 179.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.458 ' O ' ' CB ' ' A' ' 61' ' ' HIS . 61.9 m80 -101.95 -70.06 0.76 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.601 -179.995 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' CG ' ' HD1' ' A' ' 62' ' ' HIS . 9.2 t-80 78.37 -144.33 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.189 -0.459 . . . . 1.0 111.149 179.753 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.713 ' HD1' ' H ' ' A' ' 62' ' ' HIS . 8.0 p-80 -60.57 -99.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 1.0 111.446 -179.282 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.705 ' H ' ' CD2' ' A' ' 62' ' ' HIS . 71.8 t60 -73.0 40.41 0.09 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.045 0.45 . . . . 1.0 110.267 -179.651 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.492 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 18.6 p80 . . . . . 0 C--N 1.325 -0.49 0 CA-C-O 117.961 -1.019 . . . . 1.0 110.671 -179.809 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.403 ' O ' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 1' ' ' MET . 33.8 mt-10 42.42 -164.68 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 -179.973 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 60.53 161.56 0.05 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.517 179.942 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.97 -94.92 0.22 Allowed Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.884 -0.886 . . . . 1.0 110.884 179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.71 -72.54 0.02 OUTLIER Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -163.65 43.85 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 1.0 110.642 -179.991 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -101.44 -177.1 3.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.545 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.2 t70 44.71 31.19 0.61 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.566 -179.964 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 11.7 t30 -41.54 -77.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.599 -179.995 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -43.04 155.58 0.05 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.507 179.959 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.6 t80 42.72 40.18 1.95 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.571 179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 165.99 28.11 0.02 OUTLIER Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.941 -0.864 . . . . 1.0 110.941 179.933 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.29 -27.77 2.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.816 0.341 . . . . 1.0 110.625 179.893 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 15' ' ' ASN . 30.6 p30 -95.5 -27.6 15.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.516 179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.524 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 3.2 m-80 -51.6 -26.95 9.81 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.519 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.418 ' CG ' ' N ' ' A' ' 17' ' ' SER . 12.8 pt20 -92.58 -38.16 12.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.538 179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.429 ' O ' ' N ' ' A' ' 21' ' ' TYR . 7.0 p -61.26 -39.11 89.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.515 -179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.529 ' O ' ' N ' ' A' ' 21' ' ' TYR . 8.8 mt-10 -41.38 -73.85 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.558 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 86.3 m -41.07 -26.92 0.05 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.039 -0.528 . . . . 1.0 110.576 179.925 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.418 ' N ' ' O ' ' A' ' 18' ' ' GLU . 0.5 OUTLIER -86.38 -35.28 19.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.637 -179.941 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.529 ' N ' ' O ' ' A' ' 18' ' ' GLU . 22.0 t80 -51.58 -31.91 26.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.577 179.961 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.1 p -77.73 -18.3 56.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.586 -179.98 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -97.61 -54.99 2.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.609 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . . . . . . . . . 0.4 OUTLIER -43.02 -47.99 5.93 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.618 -179.953 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.9 tttp -48.8 -32.13 8.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.665 179.986 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 1.4 t -94.56 -42.43 8.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.536 -179.907 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 21.5 m -76.0 5.62 6.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.644 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -85.6 -9.87 77.73 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.44 43.3 1.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 1.0 110.332 179.851 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -173.14 -28.42 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.923 -179.972 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.607 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 20.9 mt -71.82 -33.97 2.8 Favored Pre-proline 0 CA--C 1.535 0.38 0 N-CA-C 111.814 0.301 . . . . 1.0 111.814 -179.766 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.607 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.5 Cg_exo -60.47 -48.35 11.64 Favored 'Trans proline' 0 N--CA 1.495 1.569 0 C-N-CA 121.937 1.758 . . . . 1.0 112.052 -179.866 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -45.62 -67.35 0.29 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.554 -179.929 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -47.97 -54.73 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.243 179.883 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.534 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -42.28 -64.73 0.55 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.253 179.723 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -44.2 -64.32 0.7 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.685 -179.969 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.42 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.0 OUTLIER -52.3 -25.65 10.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.45 . . . . 1.0 110.929 -179.641 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.712 HG12 ' O ' ' A' ' 38' ' ' VAL . 83.7 t -106.13 7.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.507 -0.315 . . . . 1.0 111.035 -179.726 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.534 ' N ' ' O ' ' A' ' 35' ' ' TYR . 48.4 t80 -113.93 -25.24 8.68 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.365 -0.38 . . . . 1.0 110.842 -179.879 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' ' HG ' ' A' ' 40' ' ' LEU . 1.9 pp -102.99 1.93 34.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.643 -179.974 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.42 HD12 ' O ' ' A' ' 37' ' ' LEU . 3.4 mt -101.64 -61.99 1.31 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.438 . . . . 1.0 111.439 -179.482 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -100.85 7.35 57.38 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 121.047 -0.597 . . . . 1.0 112.034 -178.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -130.31 28.46 4.97 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.957 0.408 . . . . 1.0 110.736 179.92 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.4 m -136.52 -46.91 0.61 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.064 -0.516 . . . . 1.0 110.422 179.609 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -100.55 -6.11 53.26 Favored Glycine 0 CA--C 1.524 0.616 0 N-CA-C 110.818 -0.913 . . . . 1.0 110.818 179.831 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.598 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -87.46 -48.98 7.52 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.792 0.33 . . . . 1.0 110.437 -179.992 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.598 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -65.62 -51.82 44.27 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.85 -0.9 . . . . 1.0 110.85 -179.951 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 22.3 tp -51.64 -51.2 57.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.843 0.354 . . . . 1.0 110.251 179.975 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.496 HG12 ' N ' ' A' ' 50' ' ' LEU . 14.8 t -59.93 -72.42 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.442 -179.982 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.496 ' N ' HG12 ' A' ' 49' ' ' VAL . 96.1 mt -43.69 -29.91 0.57 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.269 179.964 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 71.5 t90 -76.84 -47.37 21.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.395 179.872 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 21.6 m -61.92 -52.12 65.36 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 1.0 110.462 179.936 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' O ' ' N ' ' A' ' 57' ' ' LYS . 7.1 t -51.77 -52.18 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.418 179.896 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.463 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -53.0 -30.84 37.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.947 0.403 . . . . 1.0 110.244 179.726 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.665 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -80.78 -18.43 47.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.073 -0.512 . . . . 1.0 110.258 179.629 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.4 pttt -102.96 -18.07 15.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.048 -0.524 . . . . 1.0 110.437 -179.854 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.496 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -108.71 -13.09 14.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.969 -0.559 . . . . 1.0 110.155 -179.983 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.03 -31.57 25.7 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.983 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -58.33 -12.39 3.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.785 0.326 . . . . 1.0 110.562 -179.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 24.1 m-70 -139.38 84.2 1.98 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.262 -0.427 . . . . 1.0 110.597 179.908 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.553 ' CG ' ' N ' ' A' ' 62' ' ' HIS . 9.0 t60 -98.83 -82.92 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.553 ' N ' ' CG ' ' A' ' 61' ' ' HIS . 8.8 t60 -145.97 104.09 3.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.604 179.981 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.416 ' O ' ' OXT' ' A' ' 64' ' ' HIS . 11.7 t60 49.47 40.23 18.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.36 179.938 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.508 ' CG ' ' O ' ' A' ' 64' ' ' HIS . 54.7 t-80 . . . . . 0 C--O 1.22 -0.488 0 CA-C-O 118.008 -0.996 . . . . 1.0 110.626 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.394 -0.595 . . . . 1.0 109.394 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -140.71 146.66 38.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.557 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 15.3 tp10 -172.88 145.63 1.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.527 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -78.67 -125.16 0.4 Allowed Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.933 -0.867 . . . . 1.0 110.933 179.959 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 68.1 153.72 0.48 Allowed Glycine 0 CA--C 1.524 0.644 0 N-CA-C 110.998 -0.841 . . . . 1.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -148.2 42.28 1.01 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.758 0.313 . . . . 1.0 110.596 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.508 ' O ' ' N ' ' A' ' 9' ' ' ASN . 97.4 m-85 -151.24 74.36 1.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.57 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p30 41.52 22.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.586 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' A' ' 7' ' ' PHE . 32.2 m120 -58.89 172.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.525 180.0 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' O ' ' CD2' ' A' ' 10' ' ' TYR . 61.3 t80 41.18 31.84 0.16 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.46 -179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 11.0 t80 -174.35 39.87 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.78 -0.646 . . . . 1.0 110.353 179.903 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 151.14 29.51 0.05 OUTLIER Glycine 0 CA--C 1.524 0.599 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 -179.828 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.27 -28.06 2.88 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.747 0.308 . . . . 1.0 110.574 -179.906 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -96.26 -23.73 16.55 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.596 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 m-80 -58.55 -29.27 66.23 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.583 179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -103.08 24.04 11.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.602 179.951 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -128.6 -39.59 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.528 -179.901 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -55.47 -20.7 13.44 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.298 -0.41 . . . . 1.0 110.607 -179.978 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 67.5 m -86.08 -31.93 21.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.569 179.939 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -92.0 -19.71 22.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.523 -179.979 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 27.5 t80 -50.63 -33.26 21.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.557 -179.95 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.6 p -79.75 -15.21 57.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.653 179.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.79 -54.83 2.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.623 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.524 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.21 -45.16 5.57 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.721 179.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.6 tttp -47.47 -33.09 5.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.493 179.964 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.1 m -99.34 -43.21 6.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.484 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.1 m -94.34 31.19 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.289 -0.414 . . . . 1.0 110.538 179.968 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.64 23.78 4.44 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 110.758 -0.937 . . . . 1.0 110.758 179.953 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.75 13.21 5.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.839 0.352 . . . . 1.0 110.495 179.987 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.97 -36.49 0.34 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.713 179.91 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.627 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.7 mt -76.68 -35.02 1.4 Allowed Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.799 179.86 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.627 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 14.0 Cg_endo -79.77 -20.95 8.77 Favored 'Trans proline' 0 C--N 1.316 -1.161 0 C-N-CA 122.084 1.856 . . . . 1.0 112.135 -179.33 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -64.04 -61.74 2.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.446 179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 19.9 mt -61.22 -48.25 89.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.301 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.64 -46.05 4.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.094 179.814 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.457 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -70.96 -58.48 3.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.952 -0.567 . . . . 1.0 110.539 179.688 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 ' O ' HD12 ' A' ' 41' ' ' LEU . 1.9 tp -47.39 -36.28 9.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.61 -179.999 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 8.9 t -82.38 -31.06 9.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.993 -179.822 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.445 ' C ' ' H ' ' A' ' 41' ' ' LEU . 33.1 t80 -70.39 -60.02 2.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.425 -0.352 . . . . 1.0 110.818 -179.771 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -62.87 0.03 0.6 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.356 -0.384 . . . . 1.0 110.709 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.543 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -94.25 -69.18 0.76 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.636 179.939 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.48 7.97 80.82 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.123 -0.791 . . . . 1.0 111.123 -179.794 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.444 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -129.49 34.53 4.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.824 0.345 . . . . 1.0 110.541 179.912 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 8.7 m -137.33 -51.72 0.65 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.405 179.858 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -101.48 -11.13 39.38 Favored Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.785 -0.926 . . . . 1.0 110.785 179.897 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.588 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.98 -54.5 5.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 1.0 110.533 179.903 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.588 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.01 -49.22 77.03 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.83 -0.908 . . . . 1.0 110.83 179.901 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.5 tp -54.86 -51.65 65.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.756 0.312 . . . . 1.0 110.315 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.48 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.7 t -58.97 -70.44 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.481 179.921 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.48 ' N ' HG12 ' A' ' 49' ' ' VAL . 88.1 mt -45.36 -29.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.372 179.906 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.611 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 77.4 t90 -78.49 -44.17 25.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.506 179.914 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 53.3 m -69.47 -55.5 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.261 179.776 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 6.1 t -48.41 -48.67 13.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.353 179.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -53.86 -53.7 48.91 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.31 179.825 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.611 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 3.8 mtp85 -68.06 -20.3 64.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.163 179.679 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -76.14 -53.25 8.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.382 179.843 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.9 pttt -71.94 -18.92 61.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.918 -0.583 . . . . 1.0 110.518 -179.983 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -78.88 -31.03 45.25 Favored Glycine 0 CA--C 1.523 0.593 0 N-CA-C 110.971 -0.851 . . . . 1.0 110.971 179.977 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -49.63 -35.18 20.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.847 0.356 . . . . 1.0 110.621 179.968 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.544 ' CG ' ' H ' ' A' ' 61' ' ' HIS . 33.9 t-80 -69.5 -118.5 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.551 -179.964 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.544 ' H ' ' CG ' ' A' ' 60' ' ' HIS . 9.9 t-160 -160.3 -31.6 0.06 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.548 179.991 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.529 ' O ' ' CG ' ' A' ' 63' ' ' HIS . 26.8 t-80 -170.24 141.98 2.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.255 -0.43 . . . . 1.0 110.561 179.966 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.531 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 33.9 p80 41.91 38.2 0.97 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.088 0.471 . . . . 1.0 110.251 -179.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 54.9 p-80 . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.576 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 mmt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.356 -0.609 . . . . 1.0 109.356 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.559 ' H ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER -90.73 85.28 6.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.584 179.98 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -48.08 151.87 0.91 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.62 179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.56 114.38 0.61 Allowed Glycine 0 CA--C 1.525 0.662 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 179.949 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 138.13 -103.3 0.4 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.978 -0.849 . . . . 1.0 110.978 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 54.58 42.76 31.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.742 0.306 . . . . 1.0 110.547 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -100.68 118.05 36.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.642 179.972 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -146.02 14.5 1.33 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.54 -179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 10' ' ' TYR . 9.2 m120 -53.07 163.69 0.5 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.444 ' O ' ' O ' ' A' ' 9' ' ' ASN . 8.4 t80 58.67 140.43 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 1.0 110.947 179.684 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.9 t80 41.8 40.76 1.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.576 -179.936 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -171.7 -30.72 0.03 OUTLIER Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.952 -0.859 . . . . 1.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.09 -22.1 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.784 0.325 . . . . 1.0 110.477 179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -109.07 -16.1 14.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.454 179.939 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -56.15 -24.78 43.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.542 -179.999 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.539 HE21 ' C ' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -79.92 -23.29 41.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.631 179.976 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 20' ' ' GLU . 0.2 OUTLIER -82.51 -53.12 6.22 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.604 179.989 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -45.96 -25.1 0.49 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.607 179.957 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 59.7 m -74.36 -33.37 63.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.575 179.985 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 17' ' ' SER . 9.2 mt-10 -96.85 -13.72 22.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.588 -179.979 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 36.7 t80 -56.12 -33.69 65.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.0 p -74.96 -16.56 60.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.457 . . . . 1.0 110.533 -179.948 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -97.66 -50.02 4.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.584 -179.986 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.494 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.6 OUTLIER -43.61 -52.23 6.46 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.537 179.993 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.9 tttt -47.14 -27.95 1.61 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.573 179.995 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.75 -45.84 6.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.6 179.971 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 23.0 m -82.94 13.27 4.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.61 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -87.12 -8.07 76.01 Favored Glycine 0 CA--C 1.523 0.591 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.897 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.39 41.46 1.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.91 0.386 . . . . 1.0 110.183 179.661 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -172.26 -28.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.969 -0.559 . . . . 1.0 111.047 -179.781 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.595 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 9.5 mt -70.19 -35.47 5.04 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.578 -0.283 . . . . 1.0 111.635 -179.79 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.595 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 26.0 Cg_exo -59.66 -23.36 71.22 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 121.914 1.743 . . . . 1.0 111.976 -179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.42 -67.32 0.4 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 179.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.523 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.5 mp -59.68 -28.4 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.395 179.867 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.44 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -69.6 -48.58 59.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.071 -0.513 . . . . 1.0 110.551 179.937 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 1.5 mmt -48.76 -62.62 1.42 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.64 -179.913 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.8 tp -50.4 -40.52 50.2 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.343 179.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.9 t -80.52 -5.88 8.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 1.0 110.637 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.44 ' N ' ' O ' ' A' ' 35' ' ' TYR . 47.8 t80 -100.91 -29.73 12.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.729 -179.862 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -97.08 -16.74 20.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.997 -179.815 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.665 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -107.08 -29.62 9.29 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.833 0.349 . . . . 1.0 110.284 179.833 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.34 -1.64 60.73 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 111.146 -0.782 . . . . 1.0 111.146 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.98 26.49 3.93 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.708 0.289 . . . . 1.0 110.772 -179.943 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 53.3 m -133.18 -48.74 0.85 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.45 179.909 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -104.47 -2.52 43.99 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.87 -0.892 . . . . 1.0 110.87 179.99 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.1 m-80 -94.46 -51.78 4.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.814 0.34 . . . . 1.0 110.662 -179.955 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.23 -45.92 94.18 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.1 tp -57.77 -47.6 82.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.779 0.324 . . . . 1.0 110.386 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.489 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.5 t -61.39 -70.95 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.591 -179.967 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.489 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.75 -31.42 0.3 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.533 -179.945 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.621 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 75.4 t90 -75.29 -50.92 14.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.123 -0.49 . . . . 1.0 110.602 179.976 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -63.52 -40.65 97.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.486 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 52.5 t -61.2 -46.18 97.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 1.0 110.682 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -58.27 -14.73 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.672 -179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.621 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.5 mtm-85 -110.6 5.83 21.36 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.842 -179.815 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -120.89 -28.41 4.82 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.379 -0.373 . . . . 1.0 110.33 179.763 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.4 tttt -100.93 -32.23 10.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.511 -179.906 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.93 -30.48 35.02 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -15.03 24.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.715 0.293 . . . . 1.0 110.568 -179.961 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 65.0 m-70 -138.04 94.37 2.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.602 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.514 ' O ' ' N ' ' A' ' 63' ' ' HIS . 12.9 m170 -80.62 17.57 1.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 17.5 m80 55.41 -82.57 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.429 . . . . 1.0 110.575 179.982 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' N ' ' O ' ' A' ' 61' ' ' HIS . 2.9 m-70 -88.14 41.03 0.98 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.515 179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 47.0 m80 . . . . . 0 C--O 1.221 -0.436 0 CA-C-O 118.004 -0.998 . . . . 1.0 110.563 179.964 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 tpt . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.421 -0.585 . . . . 1.0 109.421 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 53.09 -177.16 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.474 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -172.76 45.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.526 179.966 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 59.99 111.55 0.01 OUTLIER Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.947 -0.861 . . . . 1.0 110.947 -179.98 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -130.81 -113.77 1.6 Allowed Glycine 0 CA--C 1.524 0.638 0 N-CA-C 110.931 -0.868 . . . . 1.0 110.931 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.504 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 18.4 p-10 -151.01 58.08 0.91 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 1.0 110.623 179.92 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.437 ' C ' ' H ' ' A' ' 9' ' ' ASN . 49.6 m-85 -73.89 -162.82 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.539 179.963 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 m-20 -71.22 10.08 0.64 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.607 179.927 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.472 ' C ' ' H ' ' A' ' 11' ' ' TYR . 2.6 m120 -44.59 -68.7 0.18 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.644 179.996 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 26.8 p90 -70.96 39.73 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.726 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.472 ' H ' ' C ' ' A' ' 9' ' ' ASN . 7.4 t80 -164.46 41.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 166.87 26.97 0.02 OUTLIER Glycine 0 CA--C 1.523 0.568 0 N-CA-C 110.753 -0.939 . . . . 1.0 110.753 179.974 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.38 -26.44 2.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.782 0.325 . . . . 1.0 110.685 -179.937 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.483 ' OD1' ' N ' ' A' ' 14' ' ' ASP . 20.0 p-10 -93.04 -32.86 14.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.607 -179.983 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.9 t30 -47.02 -31.89 3.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 1.0 110.46 179.95 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 54.0 mt-30 -85.54 -35.38 21.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.083 -0.508 . . . . 1.0 110.427 179.922 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.525 ' O ' ' N ' ' A' ' 21' ' ' TYR . 9.5 p -59.39 -49.01 79.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.134 -0.484 . . . . 1.0 110.513 -179.993 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -46.3 -72.76 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.612 179.907 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 87.0 m -51.56 -29.42 17.07 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.056 -0.52 . . . . 1.0 110.645 179.988 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.477 ' CG ' ' O ' ' A' ' 20' ' ' GLU . 3.9 tt0 -99.45 19.0 16.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.619 -179.929 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.525 ' N ' ' O ' ' A' ' 17' ' ' SER . 47.6 t80 -86.77 -39.4 15.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.376 179.875 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 14.9 p -68.75 -12.96 62.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.315 179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.75 -47.88 3.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.944 -0.571 . . . . 1.0 110.84 -179.898 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.6 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.34 -46.24 2.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 1.0 110.926 -179.688 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.6 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 17.9 ttpt -45.94 -35.8 4.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.626 -179.696 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 49.0 m -100.88 -42.43 6.45 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.165 -0.471 . . . . 1.0 110.769 -179.957 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 32.9 p -96.44 32.82 1.91 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 1.0 110.584 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.521 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -139.52 28.74 2.54 Favored Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.948 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -133.78 9.65 3.92 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.778 0.323 . . . . 1.0 110.606 -179.953 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.4 -35.77 0.11 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.762 -179.931 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.614 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -74.27 -35.77 2.41 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-N 116.287 -0.415 . . . . 1.0 111.769 179.972 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.614 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.4 Cg_exo -55.33 -24.59 43.39 Favored 'Trans proline' 0 N--CA 1.495 1.604 0 C-N-CA 122.062 1.841 . . . . 1.0 112.254 -179.561 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.89 -66.93 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.617 179.995 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.76 -40.12 81.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.155 179.985 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -50.9 -56.24 13.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.092 -0.504 . . . . 1.0 110.688 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 8.6 mmt -46.09 -61.54 1.72 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 1.0 110.654 -179.793 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.9 tt -48.83 -31.06 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.747 -179.893 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.55 HG12 ' O ' ' A' ' 38' ' ' VAL . 85.0 t -96.82 -6.83 9.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 1.0 110.498 -179.964 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' CZ ' HG21 ' A' ' 43' ' ' THR . 16.9 t80 -90.62 -59.0 2.29 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.132 -0.485 . . . . 1.0 110.535 -179.986 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.59 -5.15 14.13 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.752 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.1 mt -123.6 -5.98 8.11 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.545 179.649 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.527 ' O ' ' ND2' ' A' ' 46' ' ' ASN . . . -138.75 17.29 3.26 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.406 -0.677 . . . . 1.0 111.406 -179.676 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.727 HG22 ' O ' ' A' ' 43' ' ' THR . 88.1 m -158.26 19.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.89 -0.324 . . . . 1.0 110.593 179.785 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.7 m -128.3 -49.24 1.3 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.97 -0.559 . . . . 1.0 110.085 179.773 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.56 -2.21 30.85 Favored Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.562 -1.015 . . . . 1.0 110.562 179.722 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.6 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -103.55 -54.04 2.67 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.751 0.31 . . . . 1.0 110.512 -179.953 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.6 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -64.66 -57.56 12.3 Favored Glycine 0 CA--C 1.524 0.605 0 N-CA-C 110.804 -0.918 . . . . 1.0 110.804 179.93 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.3 tp -45.69 -48.3 15.07 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.675 0.274 . . . . 1.0 110.412 179.91 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.461 HG12 ' N ' ' A' ' 50' ' ' LEU . 6.6 t -62.67 -67.71 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.334 -0.393 . . . . 1.0 110.543 179.936 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.461 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.2 mt -53.79 -21.41 7.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.507 179.891 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLY . 77.2 t90 -83.99 -43.78 14.83 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.462 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.8 m -70.3 -49.55 48.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.489 . . . . 1.0 110.494 179.943 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.3 t -55.66 -43.6 73.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.435 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -60.73 -16.19 37.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.476 179.92 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 2.0 mtp85 -104.69 -5.82 20.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.714 -179.944 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.6 -27.17 10.01 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.279 -0.419 . . . . 1.0 110.446 179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -102.65 -29.23 11.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.599 179.997 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.26 -29.06 34.6 Favored Glycine 0 CA--C 1.522 0.494 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.947 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.7 t-160 -57.67 -47.08 83.3 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.769 0.319 . . . . 1.0 110.517 -179.807 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.528 ' O ' ' N ' ' A' ' 62' ' ' HIS . 64.0 m-70 -84.15 -98.42 0.06 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.576 -179.914 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 56.32 -78.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.095 -0.502 . . . . 1.0 111.038 179.897 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.528 ' N ' ' O ' ' A' ' 60' ' ' HIS . 1.4 m-70 -101.99 136.37 41.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.735 -179.871 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.482 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 8.3 t-80 46.99 38.19 5.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.326 -179.913 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.482 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 46.8 p-80 . . . . . 0 C--O 1.219 -0.515 0 CA-C-O 118.005 -0.997 . . . . 1.0 110.614 -179.952 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.41 ' CG ' ' H ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.418 -0.586 . . . . 1.0 109.418 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.41 ' H ' ' CG ' ' A' ' 1' ' ' MET . 5.6 mt-10 -74.13 136.82 42.93 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.576 179.935 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -173.1 99.21 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.562 179.99 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.37 -41.27 0.18 Allowed Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.9 -0.88 . . . . 1.0 110.9 179.966 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.04 30.74 9.79 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 110.949 -0.86 . . . . 1.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 53.28 42.09 32.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.789 0.328 . . . . 1.0 110.538 -179.975 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.3 t80 49.29 53.81 12.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.57 -179.969 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ASN . 45.2 t0 -155.36 52.96 0.61 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.524 179.956 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.521 ' O ' ' N ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER 49.41 178.06 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.665 179.831 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 20.0 t80 -47.16 90.02 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.36 180.0 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' N ' ' O ' ' A' ' 9' ' ' ASN . 47.5 m-85 44.09 39.96 3.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.17 -179.723 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 44.63 49.58 8.67 Favored Glycine 0 CA--C 1.524 0.628 0 N-CA-C 110.773 -0.931 . . . . 1.0 110.773 -179.896 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -127.7 -29.24 2.64 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.754 0.312 . . . . 1.0 110.585 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -89.57 -27.94 19.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.529 179.997 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -24.47 16.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.572 179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 pp0? -101.31 -15.96 17.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.615 179.967 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.523 ' O ' ' N ' ' A' ' 21' ' ' TYR . 6.9 t -83.04 -38.02 23.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.202 -0.453 . . . . 1.0 110.583 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.512 ' O ' ' N ' ' A' ' 21' ' ' TYR . 56.1 mt-10 -56.03 -67.51 0.29 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.502 -179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 63.2 m -42.27 -29.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.535 -179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 30.6 mm-40 -92.0 -27.43 17.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.559 -179.999 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.523 ' N ' ' O ' ' A' ' 17' ' ' SER . 34.3 t80 -50.91 -30.03 13.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.563 -179.987 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 p -81.89 -16.8 49.45 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.187 -0.461 . . . . 1.0 110.524 -179.97 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 24' ' ' TRP . 0.0 OUTLIER -98.53 -54.12 3.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.283 -0.417 . . . . 1.0 110.575 -179.983 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.435 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -44.49 -42.69 7.32 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.615 -179.997 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.0 ttpp -48.85 -31.58 7.41 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.644 -179.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.2 m -102.08 -42.6 6.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.617 -179.962 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -92.66 30.38 1.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.58 -179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -129.24 25.01 4.64 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.816 -0.914 . . . . 1.0 110.816 179.999 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -134.32 17.34 3.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.666 0.27 . . . . 1.0 110.547 -179.911 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -147.21 -36.53 0.22 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.424 -0.353 . . . . 1.0 110.826 179.931 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.631 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.4 mt -72.67 -35.41 3.04 Favored Pre-proline 0 CA--C 1.532 0.277 0 CA-C-N 116.312 -0.404 . . . . 1.0 111.521 179.839 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.631 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.5 Cg_exo -59.92 -28.47 87.22 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 122.045 1.83 . . . . 1.0 112.039 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.89 -69.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.678 -179.933 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.74 -43.01 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.098 179.863 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -56.82 -63.27 1.26 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.996 -0.547 . . . . 1.0 110.383 179.82 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.419 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -43.88 -57.8 3.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.973 -0.558 . . . . 1.0 110.536 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 60.2 tp -49.52 -43.69 45.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.123 179.808 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.652 HG12 ' O ' ' A' ' 38' ' ' VAL . 97.3 t -86.09 0.31 6.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.819 -179.671 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' A' ' 35' ' ' TYR . 14.6 t80 -98.45 -32.36 11.53 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.899 -0.32 . . . . 1.0 110.423 179.825 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -89.8 -25.58 21.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.317 -0.401 . . . . 1.0 110.693 -179.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.702 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -105.57 -30.46 9.5 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.35 -0.386 . . . . 1.0 110.219 179.969 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -89.44 -0.2 79.89 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.191 -0.763 . . . . 1.0 111.191 179.996 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -133.97 17.85 3.82 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.614 0.245 . . . . 1.0 110.874 179.968 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 46.5 m -129.07 -44.14 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.572 179.831 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -103.33 -1.44 47.53 Favored Glycine 0 CA--C 1.525 0.668 0 N-CA-C 110.859 -0.896 . . . . 1.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.0 m-80 -99.2 -48.29 4.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.815 0.34 . . . . 1.0 110.677 -179.991 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.87 -51.29 35.67 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.928 -0.869 . . . . 1.0 110.928 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.9 tp -51.39 -49.04 62.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.746 0.308 . . . . 1.0 110.283 -179.934 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.495 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.0 t -59.7 -71.29 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.605 -179.957 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.495 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.3 mt -41.91 -31.15 0.31 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.538 179.967 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -77.05 -50.9 12.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.244 -0.435 . . . . 1.0 110.51 179.974 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.9 m -59.67 -45.88 90.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.531 179.948 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.473 ' C ' ' H ' ' A' ' 55' ' ' ARG . 29.5 t -61.91 -51.63 70.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.59 -179.993 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -50.07 -10.77 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.305 -0.407 . . . . 1.0 110.635 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.473 ' H ' ' C ' ' A' ' 53' ' ' VAL . 9.2 mtp85 -107.79 -18.43 13.82 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.797 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -100.14 -27.65 13.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.372 . . . . 1.0 110.394 -179.886 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 30.7 tttm -102.62 -26.09 13.33 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 1.0 110.36 -179.965 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.19 -29.3 50.98 Favored Glycine 0 CA--C 1.524 0.631 0 N-CA-C 110.879 -0.889 . . . . 1.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -13.11 7.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.81 0.338 . . . . 1.0 110.624 -179.989 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.453 ' CD2' ' ND1' ' A' ' 64' ' ' HIS . 15.2 t-160 -139.48 94.47 2.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 179.982 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.512 ' O ' ' ND1' ' A' ' 61' ' ' HIS . 33.2 p80 -89.87 39.91 0.98 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.564 179.99 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.455 ' CG ' ' C ' ' A' ' 61' ' ' HIS . 8.0 m-70 69.69 130.21 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.578 180.0 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 51.35 56.88 7.26 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.268 -179.985 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' A' ' 60' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.025 -0.988 . . . . 1.0 110.607 -179.676 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.435 -0.58 . . . . 1.0 109.435 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.518 ' O ' ' N ' ' A' ' 4' ' ' GLY . 1.5 pm0 -138.16 41.63 2.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.536 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -61.48 73.38 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.566 -179.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 2' ' ' GLU . . . 78.62 76.2 0.94 Allowed Glycine 0 CA--C 1.524 0.642 0 N-CA-C 110.893 -0.883 . . . . 1.0 110.893 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.8 30.58 1.01 Allowed Glycine 0 CA--C 1.524 0.641 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 179.952 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -156.02 56.4 0.59 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.817 0.341 . . . . 1.0 110.631 -179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 73.3 m-85 -92.15 115.12 27.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.559 -179.904 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -136.25 33.01 2.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.506 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 10' ' ' TYR . 95.0 m-20 -56.12 -169.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.594 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.423 ' O ' ' O ' ' A' ' 9' ' ' ASN . 3.4 t80 52.02 105.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.818 179.838 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 35.4 t80 61.03 59.0 2.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.511 -179.934 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 167.53 -23.94 0.12 Allowed Glycine 0 CA--C 1.522 0.518 0 N-CA-C 110.908 -0.877 . . . . 1.0 110.908 -179.933 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.65 -22.87 12.62 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.927 0.394 . . . . 1.0 110.323 179.868 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 14' ' ' ASP . 0.6 OUTLIER -103.3 -17.38 15.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.969 -0.56 . . . . 1.0 110.225 179.801 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -66.06 -29.29 69.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.511 -179.964 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.87 9.43 42.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.535 -179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.51 ' O ' ' N ' ' A' ' 21' ' ' TYR . 21.0 p -122.49 -52.37 1.93 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.516 -179.928 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -57.07 -25.98 59.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.523 -179.947 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.1 t -85.6 -34.95 21.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.695 -179.891 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' O ' ' N ' ' A' ' 24' ' ' TRP . 3.3 mm-40 -94.09 -2.93 52.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.447 . . . . 1.0 110.239 179.899 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.51 ' N ' ' O ' ' A' ' 17' ' ' SER . 30.9 t80 -48.15 -30.75 4.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.92 -0.582 . . . . 1.0 110.75 -179.987 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 80.6 p -78.57 -22.36 47.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.192 -0.458 . . . . 1.0 110.661 -179.778 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.419 ' O ' ' N ' ' A' ' 26' ' ' SER . 0.2 OUTLIER -101.83 -57.64 2.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.099 -0.5 . . . . 1.0 110.77 -179.873 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.616 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -39.95 -42.9 1.43 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.835 -179.867 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 10.7 ttpt -49.91 -37.61 32.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.7 -179.843 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.419 ' N ' ' O ' ' A' ' 23' ' ' ASP . 74.2 m -98.26 -42.27 7.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.831 -179.782 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 15.9 m -102.92 48.52 0.86 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.834 -179.69 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.6 3.63 3.57 Favored Glycine 0 CA--C 1.524 0.624 0 N-CA-C 110.641 -0.984 . . . . 1.0 110.641 179.696 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -107.72 34.05 3.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.787 0.327 . . . . 1.0 110.316 179.898 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.2 pp -172.99 -29.38 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.164 -0.471 . . . . 1.0 111.033 -179.928 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.4 mm -73.96 -32.89 1.6 Allowed Pre-proline 0 CA--C 1.536 0.407 0 CA-C-N 116.461 -0.336 . . . . 1.0 111.707 -179.875 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.2 Cg_exo -60.66 -21.36 69.04 Favored 'Trans proline' 0 N--CA 1.495 1.574 0 C-N-CA 121.766 1.644 . . . . 1.0 112.038 -179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.93 -69.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.737 -179.762 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 12.2 mt -57.81 -47.66 85.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.144 179.88 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -42.37 -55.84 3.23 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.13 179.769 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 5.7 mmt -63.16 -51.14 67.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.371 179.648 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' O ' HD12 ' A' ' 41' ' ' LEU . 3.8 tp -49.74 -39.82 38.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.034 -0.53 . . . . 1.0 110.383 179.963 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 31.5 t -83.6 -20.38 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.956 -179.749 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 43.5 t80 -77.67 -59.39 2.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.519 -0.31 . . . . 1.0 110.761 -179.799 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -65.03 -9.08 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.296 -0.411 . . . . 1.0 111.01 -179.729 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.3 mt -81.64 -59.01 2.76 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.787 -0.449 . . . . 1.0 109.787 179.285 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.542 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -68.82 -55.0 12.02 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 179.664 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.456 HG22 ' O ' ' A' ' 43' ' ' THR . 12.9 m -47.79 -12.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 O-C-N 122.669 -0.312 . . . . 1.0 110.732 179.953 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' GLY . 3.3 m -109.69 -26.61 9.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.43 -179.964 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' GLY . . . -114.96 17.01 17.88 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.821 -0.911 . . . . 1.0 110.821 -179.888 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.578 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -139.86 -46.27 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.78 0.324 . . . . 1.0 110.35 -179.926 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.578 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -67.86 -50.84 38.62 Favored Glycine 0 CA--C 1.525 0.656 0 N-CA-C 110.856 -0.898 . . . . 1.0 110.856 179.949 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 38.8 tp -47.22 -52.62 15.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.765 0.317 . . . . 1.0 110.454 -179.972 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.481 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.0 t -60.52 -68.62 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 1.0 110.468 179.867 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.481 ' N ' HG12 ' A' ' 49' ' ' VAL . 90.1 mt -49.53 -24.96 2.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.422 179.872 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.437 ' N ' ' O ' ' A' ' 47' ' ' GLY . 74.7 t90 -79.81 -41.02 27.29 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.232 -0.44 . . . . 1.0 110.457 179.897 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -69.36 -49.5 54.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 42.6 t -54.42 -45.71 69.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.488 -179.903 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.28 -21.57 15.05 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.32 -0.4 . . . . 1.0 110.406 179.975 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.419 ' NE ' ' CH2' ' A' ' 51' ' ' TRP . 7.3 mtp85 -96.96 -5.35 38.09 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 1.0 110.695 -179.972 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -112.69 -19.84 11.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.262 179.933 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.88 -23.36 14.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.385 179.855 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.93 -27.86 59.75 Favored Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.968 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -56.5 -18.21 10.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.859 0.361 . . . . 1.0 110.538 -179.921 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -96.93 59.09 1.65 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.498 179.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -137.27 27.73 2.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.556 179.989 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 1.5 t-80 66.55 105.27 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.583 -179.963 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.522 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 9.5 t60 49.53 40.92 20.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.375 179.931 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.522 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 44.0 p-80 . . . . . 0 C--O 1.219 -0.512 0 CA-C-O 117.98 -1.009 . . . . 1.0 110.619 -179.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' O ' ' A' ' 44' ' ' THR . 9.0 ttt . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.438 -0.579 . . . . 1.0 109.438 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -175.75 67.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.63 -179.966 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -115.44 144.62 43.55 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.062 -0.517 . . . . 1.0 110.621 179.968 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.79 133.08 1.77 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.964 -0.855 . . . . 1.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.43 ' O ' ' OD1' ' A' ' 6' ' ' ASP . . . -50.85 -71.29 0.66 Allowed Glycine 0 CA--C 1.525 0.67 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 -179.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 5' ' ' GLY . 1.9 p-10 42.02 36.99 0.74 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.157 0.503 . . . . 1.0 110.373 -179.858 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.477 ' CG ' ' O ' ' A' ' 7' ' ' PHE . 16.7 p90 -87.1 127.17 35.13 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.495 -0.775 . . . . 1.0 110.605 -179.897 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER -159.67 -47.54 0.05 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.167 -0.469 . . . . 1.0 110.512 179.985 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.702 ' ND2' ' H ' ' A' ' 10' ' ' TYR . 3.7 p-10 33.56 -89.38 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.152 0 CA-C-N 115.999 -0.546 . . . . 1.0 111.568 179.626 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.702 ' H ' ' ND2' ' A' ' 9' ' ' ASN . 24.1 p90 -40.25 136.81 1.15 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.757 -179.842 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 13.6 t80 48.16 41.15 15.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.576 -179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.35 6.31 0.03 OUTLIER Glycine 0 CA--C 1.522 0.477 0 N-CA-C 110.943 -0.863 . . . . 1.0 110.943 179.935 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.491 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -123.97 -22.68 4.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 120.761 0.315 . . . . 1.0 110.438 179.848 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.6 p30 -102.01 -16.01 16.6 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.397 179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -68.21 -27.82 66.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.061 -0.518 . . . . 1.0 110.71 179.967 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -92.04 -32.03 15.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.753 -179.856 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.437 ' O ' ' N ' ' A' ' 21' ' ' TYR . 37.1 m -80.16 -36.38 35.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.493 -179.912 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 21' ' ' TYR . 5.4 mt-10 -41.61 -71.55 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.44 179.918 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -43.05 -36.33 1.57 Allowed 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.885 -0.598 . . . . 1.0 110.73 179.996 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -108.34 34.73 3.47 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.773 -179.861 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 23.9 t80 -98.49 -44.39 6.51 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.27 -0.423 . . . . 1.0 110.311 179.863 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 p -66.43 -11.35 51.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 1.0 110.296 179.722 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.424 ' O ' ' N ' ' A' ' 27' ' ' SER . 0.8 OUTLIER -104.93 -52.3 2.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.983 -0.553 . . . . 1.0 110.589 179.981 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -40.68 -42.7 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.783 -179.925 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.5 tttt -46.84 -37.4 8.68 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.679 -179.882 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.45 -13.95 13.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.031 -0.531 . . . . 1.0 110.724 -179.993 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.424 ' N ' ' O ' ' A' ' 23' ' ' ASP . 19.9 m -111.21 20.21 17.59 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.107 -0.497 . . . . 1.0 110.613 -179.988 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.9 -10.3 75.89 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 110.852 -0.899 . . . . 1.0 110.852 -179.924 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -92.72 41.98 1.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.889 0.376 . . . . 1.0 110.323 179.836 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -174.11 -28.2 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.009 -0.542 . . . . 1.0 110.952 -179.834 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 19.1 mt -71.62 -34.38 3.11 Favored Pre-proline 0 CA--C 1.534 0.344 0 N-CA-C 111.865 0.321 . . . . 1.0 111.865 -179.722 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.609 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 32.3 Cg_exo -58.95 -44.2 37.24 Favored 'Trans proline' 0 N--CA 1.494 1.538 0 C-N-CA 121.868 1.712 . . . . 1.0 111.938 -179.974 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.27 -63.63 1.09 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.536 179.921 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.1 mm -52.09 -52.86 21.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.366 179.894 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -41.69 -55.24 3.03 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.26 179.885 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.44 ' N ' ' SD ' ' A' ' 36' ' ' MET . 0.0 OUTLIER -53.29 -65.84 0.49 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.695 179.998 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.2 tp -54.21 -15.32 1.47 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.96 -179.573 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.711 HG12 ' O ' ' A' ' 38' ' ' VAL . 99.5 t -116.07 8.62 7.35 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.463 -0.335 . . . . 1.0 110.869 -179.887 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.537 ' N ' ' O ' ' A' ' 35' ' ' TYR . 75.7 t80 -122.7 -16.83 7.07 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.367 -0.379 . . . . 1.0 111.014 -179.889 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.1 pp -113.64 0.48 14.61 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.523 -0.308 . . . . 1.0 110.692 179.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.3 mt -108.13 -58.22 2.01 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.302 -0.408 . . . . 1.0 110.98 -179.852 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -95.96 4.53 65.59 Favored Glycine 0 CA--C 1.525 0.708 0 C-N-CA 121.104 -0.57 . . . . 1.0 111.689 -179.299 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -132.31 31.53 4.07 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.844 0.354 . . . . 1.0 110.64 179.905 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 1' ' ' MET . 1.6 m -131.84 -42.49 1.01 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.99 -0.55 . . . . 1.0 110.24 179.704 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.0 17.59 5.98 Favored Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.648 -0.981 . . . . 1.0 110.648 179.822 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 47.5 m-80 -123.37 -54.59 1.78 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.821 0.344 . . . . 1.0 110.505 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -61.72 -49.41 76.52 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.884 -0.887 . . . . 1.0 110.884 179.995 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.9 tp -49.98 -51.71 39.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.818 0.342 . . . . 1.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 50' ' ' LEU . 13.8 t -59.2 -71.03 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 1.0 110.541 179.88 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.471 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.4 mt -46.83 -27.28 1.18 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 1.0 110.473 179.904 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.609 ' CZ2' ' NE ' ' A' ' 55' ' ' ARG . 76.1 t90 -78.77 -45.38 21.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.451 -179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 56' ' ' LYS . 15.5 m -66.66 -51.54 54.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.386 179.875 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 63.2 t -52.54 -53.69 18.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.42 179.871 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -49.06 -46.17 44.01 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.501 . . . . 1.0 110.462 179.843 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.609 ' NE ' ' CZ2' ' A' ' 51' ' ' TRP . 0.6 OUTLIER -77.04 -26.78 54.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 1.0 110.494 179.99 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' THR . 8.6 tptm -63.27 -57.08 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.631 179.95 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 13.7 mttt -84.33 -13.55 52.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.585 179.946 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.23 -30.45 37.5 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -17.17 4.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.814 0.34 . . . . 1.0 110.588 179.959 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 47.3 m-70 -89.8 -116.95 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 1.0 110.54 -179.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -154.88 -66.29 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.558 -179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.61 ' CG ' ' H ' ' A' ' 63' ' ' HIS . 33.6 p-80 -162.76 -59.69 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.565 -179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.61 ' H ' ' CG ' ' A' ' 62' ' ' HIS . 54.8 t-80 -101.82 42.06 1.16 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.575 179.975 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 86.5 t60 . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.041 -0.98 . . . . 1.0 110.54 179.985 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.3 mtp . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -96.61 -169.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.619 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -57.52 171.78 0.41 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.269 -0.423 . . . . 1.0 110.556 -179.983 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -163.65 73.45 0.18 Allowed Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.944 -0.863 . . . . 1.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -145.35 -172.54 15.84 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.887 -0.885 . . . . 1.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -160.35 54.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.837 0.351 . . . . 1.0 110.668 -179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 59.78 112.45 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.657 -179.93 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -71.9 -35.12 69.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 1.0 110.556 179.995 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 42.53 -158.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.55 179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.545 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.1 t80 48.33 -152.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.282 -0.417 . . . . 1.0 110.646 179.855 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -59.44 74.52 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.904 -0.589 . . . . 1.0 110.578 -179.968 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' TYR . . . -178.24 -30.59 0.05 OUTLIER Glycine 0 CA--C 1.522 0.509 0 N-CA-C 110.51 -1.036 . . . . 1.0 110.51 -179.974 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.18 -22.12 12.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 1.0 110.355 179.807 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -107.11 -17.75 14.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.992 -0.549 . . . . 1.0 110.569 179.976 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -56.84 -27.33 60.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.553 179.961 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.7 pp0? -87.11 -5.99 58.83 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.433 ' OG ' ' N ' ' A' ' 18' ' ' GLU . 52.7 p -91.55 -60.13 1.96 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.598 179.995 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.433 ' N ' ' OG ' ' A' ' 17' ' ' SER . 8.5 mt-10 -45.62 -52.44 10.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.54 179.971 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -54.81 -30.08 56.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.55 -179.996 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -91.77 -11.72 35.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.533 -179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -73.16 -61.14 1.92 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.594 179.959 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.4 p -53.69 -16.47 1.67 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.567 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -98.68 -48.03 5.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.542 179.981 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.417 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -44.29 -48.74 9.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.568 -179.951 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 tttm -48.01 -28.78 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.54 -179.939 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -99.57 -41.22 7.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.278 -0.419 . . . . 1.0 110.538 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 40.8 m -78.27 6.05 9.07 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.549 179.96 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -88.45 3.82 85.25 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.947 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -106.75 37.5 2.32 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.819 0.343 . . . . 1.0 110.536 179.955 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -174.5 -28.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.975 -179.953 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.63 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 3.5 mm -75.38 -32.54 1.24 Allowed Pre-proline 0 CA--C 1.534 0.36 0 CA-C-N 116.469 -0.332 . . . . 1.0 111.809 -179.848 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.63 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 27.6 Cg_exo -59.03 -37.47 92.91 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 121.819 1.68 . . . . 1.0 112.049 -179.889 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -44.61 -71.66 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.513 -179.956 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -44.93 -55.7 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.265 179.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -42.04 -49.22 4.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 1.0 110.35 179.884 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.494 ' O ' ' N ' ' A' ' 39' ' ' PHE . 13.0 mmt -69.34 -64.3 0.9 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.605 179.968 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.407 ' HA ' HD21 ' A' ' 40' ' ' LEU . 1.4 tp -46.94 -14.57 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.707 -179.868 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.472 ' N ' ' O ' ' A' ' 36' ' ' MET . 24.1 t -104.38 -21.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.678 179.946 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.494 ' N ' ' O ' ' A' ' 36' ' ' MET . 71.6 t80 -95.64 -12.21 25.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.778 -179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.69 ' C ' HD12 ' A' ' 40' ' ' LEU . 4.3 pp -103.9 -6.18 21.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.886 0.374 . . . . 1.0 110.203 179.658 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -98.7 -46.47 5.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.917 -0.583 . . . . 1.0 110.732 179.881 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.47 2.82 59.23 Favored Glycine 0 CA--C 1.526 0.722 0 C-N-CA 121.1 -0.572 . . . . 1.0 111.711 -179.215 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -131.5 27.2 4.73 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.822 0.344 . . . . 1.0 110.726 179.848 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 36.1 m -131.16 -48.36 1.0 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.088 -0.506 . . . . 1.0 110.49 179.67 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.11 -5.86 32.46 Favored Glycine 0 CA--C 1.523 0.579 0 N-CA-C 110.968 -0.853 . . . . 1.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 43.4 m-80 -101.69 -56.23 2.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.868 0.366 . . . . 1.0 110.598 -179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.63 -45.44 93.26 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.927 -0.869 . . . . 1.0 110.927 179.95 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 40.3 tp -57.53 -48.57 78.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.792 0.329 . . . . 1.0 110.38 179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.485 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.78 -70.93 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 1.0 110.555 179.992 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.485 ' N ' HG12 ' A' ' 49' ' ' VAL . 8.7 mt -42.59 -30.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.62 -179.988 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.619 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 74.3 t90 -76.07 -50.64 14.18 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.587 -179.986 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -63.87 -41.6 97.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.476 179.926 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.4 t -60.38 -45.68 96.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.154 -0.475 . . . . 1.0 110.696 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.03 -14.7 10.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.0 110.699 -179.945 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.619 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.6 mtm-85 -110.67 5.52 21.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.829 -179.829 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -120.74 -27.16 5.12 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.324 179.766 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -34.71 9.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.527 179.916 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -81.11 -30.07 39.19 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.915 -0.874 . . . . 1.0 110.915 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.582 ' CD2' ' N ' ' A' ' 60' ' ' HIS . 0.0 OUTLIER -57.31 -21.98 38.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.871 0.367 . . . . 1.0 110.573 -179.996 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.582 ' N ' ' CD2' ' A' ' 59' ' ' HIS . 12.4 t-80 -46.53 -42.09 15.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.607 179.978 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.464 ' NE2' ' ND1' ' A' ' 60' ' ' HIS . 24.8 m80 -139.35 -160.7 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.546 179.99 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.407 ' N ' ' ND1' ' A' ' 62' ' ' HIS . 0.8 OUTLIER -97.28 -60.92 1.48 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.459 . . . . 1.0 110.558 179.961 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.404 ' O ' ' ND1' ' A' ' 63' ' ' HIS . 26.1 p80 -101.03 41.62 1.17 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.567 179.965 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 20.3 m170 . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.977 -1.011 . . . . 1.0 110.502 179.944 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.387 -0.597 . . . . 1.0 109.387 . . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.454 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 2.6 mp0 -98.96 142.99 29.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.593 179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -174.37 165.88 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.554 179.977 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.68 137.77 9.95 Favored Glycine 0 CA--C 1.524 0.607 0 N-CA-C 110.976 -0.849 . . . . 1.0 110.976 -179.918 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -44.14 168.24 0.02 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 110.899 -0.881 . . . . 1.0 110.899 179.999 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -162.72 55.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.869 0.366 . . . . 1.0 110.65 -179.996 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -85.18 44.0 1.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 1.0 110.553 -179.949 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -101.27 43.19 1.07 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.594 179.988 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.608 ' HA ' ' HB2' ' A' ' 13' ' ' ALA . 2.6 p-10 -51.06 175.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.566 179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.433 ' O ' ' O ' ' A' ' 9' ' ' ASN . 1.6 t80 58.46 128.64 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.992 179.644 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 9.0 m-85 51.12 40.2 25.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.284 0.564 . . . . 1.0 110.266 -179.861 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.26 25.38 0.02 OUTLIER Glycine 0 CA--C 1.524 0.618 0 N-CA-C 110.848 -0.901 . . . . 1.0 110.848 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.608 ' HB2' ' HA ' ' A' ' 9' ' ' ASN . . . -127.68 -27.81 2.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.781 0.324 . . . . 1.0 110.532 179.945 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -93.6 -24.41 17.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.631 179.974 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -58.42 -25.44 62.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.547 179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.2 pp0? -91.69 -26.05 18.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.586 179.98 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -74.79 -50.56 16.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.59 179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -48.33 -27.63 2.67 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 1.0 110.566 179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 7.0 t -70.12 -30.13 67.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.618 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 16.2 mm-40 -92.49 -17.06 25.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.553 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 28.2 t80 -69.23 -48.22 62.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.514 -179.971 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.9 p -59.61 -15.22 17.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.594 -179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -102.05 -47.87 4.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.602 -179.992 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.511 ' O ' ' N ' ' A' ' 28' ' ' GLY . 8.7 t90 -44.68 -41.85 7.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 1.0 110.616 179.994 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.6 mtpp -49.97 -36.09 26.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.573 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.38 -43.89 7.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.488 -179.973 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.6 m -69.83 -11.08 60.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.602 -179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -82.74 5.63 73.88 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.913 -0.875 . . . . 1.0 110.913 -179.998 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -101.95 -3.87 27.09 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.749 0.309 . . . . 1.0 110.617 179.969 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 pp -131.37 -4.04 3.82 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.14 -0.482 . . . . 1.0 110.725 179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.2 mt -79.78 -33.31 0.79 Allowed Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.252 -0.431 . . . . 1.0 111.717 179.995 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.626 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.8 Cg_exo -58.06 -27.57 80.14 Favored 'Trans proline' 0 N--CA 1.494 1.534 0 C-N-CA 121.945 1.763 . . . . 1.0 111.986 -179.794 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.49 -67.48 0.32 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.549 179.982 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -51.6 -42.98 31.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.467 179.981 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -55.71 -57.75 10.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 1.0 110.552 179.926 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 7.0 mmt -61.5 -56.96 14.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.728 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.78 -26.66 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.667 -179.997 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.2 t -96.32 -21.6 5.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.314 -0.403 . . . . 1.0 110.601 -179.85 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.451 ' O ' ' CB ' ' A' ' 43' ' ' THR . 28.5 t80 -79.85 -58.07 3.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.266 -0.424 . . . . 1.0 110.535 -179.937 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.6 pp -65.38 1.85 1.02 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.624 -179.998 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.728 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.46 -65.93 0.93 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.631 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -92.91 11.78 71.34 Favored Glycine 0 CA--C 1.524 0.654 0 N-CA-C 111.106 -0.798 . . . . 1.0 111.106 -179.844 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.451 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -134.82 31.71 3.31 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.833 0.349 . . . . 1.0 110.553 179.959 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.6 m -135.07 -50.19 0.75 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.427 179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -102.97 -12.44 31.88 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 110.791 -0.924 . . . . 1.0 110.791 179.849 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.614 ' ND2' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -79.73 -54.15 6.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.781 0.324 . . . . 1.0 110.487 -179.983 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.614 ' N ' ' ND2' ' A' ' 46' ' ' ASN . . . -58.69 -47.31 90.93 Favored Glycine 0 CA--C 1.525 0.687 0 N-CA-C 110.993 -0.843 . . . . 1.0 110.993 -179.975 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 35.1 tp -59.28 -45.32 91.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.734 0.302 . . . . 1.0 110.413 -179.853 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.473 HG12 ' N ' ' A' ' 50' ' ' LEU . 8.1 t -64.17 -69.3 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.321 -0.4 . . . . 1.0 110.458 179.956 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.473 ' N ' HG12 ' A' ' 49' ' ' VAL . 97.1 mt -41.73 -33.71 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 1.0 110.264 179.77 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 79.7 t90 -70.61 -60.52 2.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.118 -0.492 . . . . 1.0 109.794 179.545 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -53.45 -50.77 64.57 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.872 -0.603 . . . . 1.0 110.367 179.522 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 18.1 t -48.51 -45.6 14.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 115.954 -0.566 . . . . 1.0 110.407 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.03 -31.89 52.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 1.0 110.908 -179.918 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 1.1 mmt180 -91.63 -30.39 16.37 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.63 -0.507 . . . . 1.0 109.63 179.223 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -59.3 -57.87 11.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.653 -0.703 . . . . 1.0 110.257 179.822 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 mtpt -81.93 -25.05 35.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.87 -0.604 . . . . 1.0 110.338 179.909 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -72.83 -25.83 72.87 Favored Glycine 0 CA--C 1.524 0.608 0 N-CA-C 110.831 -0.908 . . . . 1.0 110.831 179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 m170 -50.84 -26.78 6.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 1.0 110.514 -179.963 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -58.09 -21.12 44.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.602 179.953 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.516 ' O ' ' N ' ' A' ' 63' ' ' HIS . 5.9 m170 -92.52 16.65 11.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.602 -179.923 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 55.19 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.58 179.952 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.516 ' N ' ' O ' ' A' ' 61' ' ' HIS . 2.5 p-80 -88.06 41.11 0.98 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.481 179.917 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.515 ' OXT' ' CG ' ' A' ' 64' ' ' HIS . 37.3 t-80 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.942 -1.028 . . . . 1.0 110.575 179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mtt . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.445 -0.576 . . . . 1.0 109.445 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 46.9 -164.96 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.537 -179.967 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.401 ' C ' ' H ' ' A' ' 5' ' ' GLY . 4.8 pt-20 -54.77 159.46 2.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.579 -179.988 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.74 39.79 1.56 Allowed Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.967 -0.853 . . . . 1.0 110.967 179.96 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.401 ' H ' ' C ' ' A' ' 3' ' ' GLU . . . -158.84 170.58 35.34 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.995 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.417 ' O ' ' O ' ' A' ' 7' ' ' PHE . 46.0 t0 -141.48 43.63 1.75 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.796 0.331 . . . . 1.0 110.6 179.932 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.417 ' O ' ' O ' ' A' ' 6' ' ' ASP . 2.3 m-85 54.12 167.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.562 179.952 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.516 ' O ' ' ND2' ' A' ' 9' ' ' ASN . 46.8 m-20 -74.61 -15.36 60.83 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.57 179.965 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.52 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 0.3 OUTLIER 45.73 -172.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.593 179.915 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.52 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 90.5 t80 41.76 94.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.642 179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.473 ' CB ' ' O ' ' A' ' 10' ' ' TYR . 2.7 t80 78.64 41.97 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 1.0 110.529 179.99 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -176.95 -28.16 0.04 OUTLIER Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.925 -0.87 . . . . 1.0 110.925 -179.989 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -92.11 -27.15 17.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.738 0.304 . . . . 1.0 110.605 179.982 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 11.5 p-10 -110.37 -12.41 14.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.485 179.986 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -57.1 -13.58 3.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.535 -179.985 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -93.79 -10.53 33.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.628 -179.964 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' N ' ' A' ' 19' ' ' CYS . 0.1 OUTLIER -98.02 -51.15 4.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.63 179.953 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 -48.91 -12.74 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.201 -0.454 . . . . 1.0 110.622 179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' N ' ' C ' ' A' ' 17' ' ' SER . 0.3 OUTLIER -86.37 -35.65 19.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.602 179.947 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -93.24 -37.71 11.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.581 -179.891 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 9.4 t80 -51.03 -33.57 25.78 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 1.0 110.55 -179.922 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.05 13.26 4.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.613 -179.964 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.531 ' O ' ' N ' ' A' ' 27' ' ' SER . 10.5 m-20 -136.18 -29.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.565 179.94 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.412 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.11 -53.43 11.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.285 -0.416 . . . . 1.0 110.353 179.846 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 14.5 ttpt -47.87 -37.34 13.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.292 -0.413 . . . . 1.0 109.989 179.617 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 29.4 t -101.19 -8.63 22.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.922 -0.581 . . . . 1.0 110.139 179.71 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.593 ' OG ' HD12 ' A' ' 31' ' ' ILE . 23.0 t 51.78 50.93 17.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.057 -179.935 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 76.9 -4.07 54.56 Favored Glycine 0 CA--C 1.521 0.414 0 CA-C-N 115.428 -0.806 . . . . 1.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . 59.57 16.06 5.05 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.349 -0.611 . . . . 1.0 109.349 -179.258 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 pp -118.0 -38.63 3.2 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 115.491 -0.777 . . . . 1.0 111.068 -179.598 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.636 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 14.3 mt -73.14 -34.24 2.28 Favored Pre-proline 0 CA--C 1.535 0.377 0 C-N-CA 120.883 -0.327 . . . . 1.0 111.512 179.339 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.636 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 16.4 Cg_exo -62.83 -31.63 77.92 Favored 'Trans proline' 0 N--CA 1.493 1.474 0 C-N-CA 122.102 1.868 . . . . 1.0 112.009 -179.619 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.6 -71.07 0.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.642 -179.895 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -48.65 -45.83 15.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.4 -179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -52.97 -63.65 1.08 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.568 179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.438 ' O ' ' N ' ' A' ' 39' ' ' PHE . 8.3 mmt -56.66 -55.51 33.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.585 -179.976 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 41' ' ' LEU . 2.7 tp -48.04 -30.17 4.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.62 -179.921 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG12 ' O ' ' A' ' 38' ' ' VAL . 42.9 t -96.81 -9.95 8.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.707 -179.982 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.438 ' N ' ' O ' ' A' ' 36' ' ' MET . 15.6 t80 -89.02 -57.56 2.86 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.251 -0.431 . . . . 1.0 110.636 -179.927 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -69.14 1.02 3.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.696 -179.842 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.612 HD12 ' O ' ' A' ' 37' ' ' LEU . 95.7 mt -124.85 -28.57 3.48 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.36 179.801 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -98.55 0.42 58.18 Favored Glycine 0 CA--C 1.524 0.617 0 N-CA-C 110.844 -0.902 . . . . 1.0 110.844 179.917 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.9 m -135.07 17.58 3.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.691 0.282 . . . . 1.0 110.549 179.943 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.9 m -127.71 -46.58 1.42 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.082 -0.508 . . . . 1.0 110.221 179.848 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.43 17.92 23.34 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.682 -0.967 . . . . 1.0 110.682 179.798 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.524 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 41.3 m-80 -133.82 -62.52 0.77 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.82 0.343 . . . . 1.0 110.521 -179.915 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -41.87 62.34 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.895 -0.882 . . . . 1.0 110.895 179.948 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 21.0 tp -56.05 -52.93 62.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.778 0.323 . . . . 1.0 110.327 179.901 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.8 t -59.03 -60.24 2.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.527 179.892 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 69.6 mt -55.54 -23.7 28.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.497 179.944 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.624 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 73.2 t90 -82.64 -44.79 15.33 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.613 -179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -71.72 -47.57 53.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.473 179.876 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -55.92 -35.06 39.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.636 -179.984 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -70.29 -17.69 63.1 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.638 -179.993 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.624 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.3 mtm-85 -107.18 -4.24 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.741 -179.968 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.86 -29.09 10.74 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.269 179.833 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -101.54 -25.69 13.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.569 179.932 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -83.03 -32.92 25.03 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.896 -0.882 . . . . 1.0 110.896 179.947 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.501 ' ND1' ' O ' ' A' ' 55' ' ' ARG . 0.9 OUTLIER -61.37 -12.06 12.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.824 0.345 . . . . 1.0 110.644 -179.883 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.432 ' CD2' ' O ' ' A' ' 59' ' ' HIS . 30.2 m80 -142.47 73.32 1.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.602 179.966 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 53.8 p-80 -101.63 -22.99 14.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.556 179.995 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.598 ' CG ' ' N ' ' A' ' 63' ' ' HIS . 60.7 t60 -174.06 -102.61 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 1.0 110.571 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.598 ' N ' ' CG ' ' A' ' 62' ' ' HIS . 48.4 t-80 -100.82 43.49 1.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.579 179.983 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 11.2 m170 . . . . . 0 C--O 1.221 -0.445 0 CA-C-O 117.974 -1.012 . . . . 1.0 110.615 -179.982 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 39.6 mtt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.374 -0.602 . . . . 1.0 109.374 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.406 ' N ' ' CD ' ' A' ' 2' ' ' GLU . 0.3 OUTLIER 54.88 -173.38 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 1.0 110.557 -179.975 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -169.52 130.06 1.06 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.518 179.94 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.95 -120.53 0.95 Allowed Glycine 0 CA--C 1.524 0.655 0 N-CA-C 110.982 -0.847 . . . . 1.0 110.982 -179.973 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 134.86 -42.04 1.39 Allowed Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.739 -0.944 . . . . 1.0 110.739 179.932 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.453 ' O ' ' N ' ' A' ' 8' ' ' ASP . 0.3 OUTLIER -151.82 45.86 0.77 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.761 0.315 . . . . 1.0 110.436 179.939 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -41.17 95.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 1.0 110.672 -179.851 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 6' ' ' ASP . 93.7 m-20 -66.97 -55.91 12.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.067 -0.515 . . . . 1.0 110.476 179.863 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.445 ' O ' ' O ' ' A' ' 8' ' ' ASP . 0.0 OUTLIER 52.53 167.83 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.949 -0.568 . . . . 1.0 110.963 179.903 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' C ' ' O ' ' A' ' 9' ' ' ASN . 1.5 t80 37.47 31.37 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.865 -0.607 . . . . 1.0 110.727 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.439 ' N ' ' O ' ' A' ' 9' ' ' ASN . 8.6 t80 -174.32 39.54 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.788 -0.642 . . . . 1.0 110.252 179.977 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 158.94 23.91 0.03 OUTLIER Glycine 0 CA--C 1.523 0.584 0 N-CA-C 110.788 -0.925 . . . . 1.0 110.788 -179.876 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -118.08 -31.24 5.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.855 0.36 . . . . 1.0 110.461 179.959 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.514 ' O ' ' N ' ' A' ' 17' ' ' SER . 26.4 p-10 -96.35 -27.45 14.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.621 179.917 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -46.37 -21.93 0.21 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.45 179.939 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.403 ' N ' ' C ' ' A' ' 14' ' ' ASP . 8.6 pt20 -90.96 -25.87 19.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.514 ' N ' ' O ' ' A' ' 14' ' ' ASP . 8.9 t -71.42 -43.06 67.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.529 -179.959 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -50.09 -15.31 0.2 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.596 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.425 ' N ' ' C ' ' A' ' 17' ' ' SER . 74.1 m -68.54 -27.29 65.96 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.606 -179.861 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' TRP . 1.9 mm-40 -91.2 -6.59 53.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.316 -179.939 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.41 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 35.3 t80 -49.21 -28.73 4.8 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.997 -0.547 . . . . 1.0 110.68 -179.996 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 p -80.54 -20.84 42.58 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 1.0 110.707 -179.93 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLU . 5.0 m-20 -105.74 -57.89 1.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.619 -179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.62 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -37.98 -33.73 0.09 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.103 -0.499 . . . . 1.0 111.139 -179.904 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 32.6 tttm -50.07 -42.15 49.42 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.401 . . . . 1.0 110.586 -179.697 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 19.4 m -111.36 -35.3 5.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.966 -0.561 . . . . 1.0 110.778 -179.998 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.851 ' O ' HD12 ' A' ' 31' ' ' ILE . 19.2 m -108.84 48.91 0.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.594 -179.964 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.476 ' O ' ' CD ' ' A' ' 32' ' ' PRO . . . -129.3 -5.64 4.59 Favored Glycine 0 CA--C 1.523 0.585 0 N-CA-C 110.767 -0.933 . . . . 1.0 110.767 179.788 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -84.51 26.17 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.849 0.357 . . . . 1.0 110.522 179.871 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -168.03 -28.8 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.224 -0.444 . . . . 1.0 111.286 -179.937 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.851 HD12 ' O ' ' A' ' 27' ' ' SER . 6.7 mt -66.95 -40.06 26.88 Favored Pre-proline 0 CA--C 1.536 0.411 0 N-CA-C 112.256 0.465 . . . . 1.0 112.256 -179.633 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.503 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 87.9 Cg_exo -45.28 -26.1 2.32 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 121.791 1.661 . . . . 1.0 112.304 -179.294 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -62.79 -64.94 0.77 Allowed 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.346 -0.388 . . . . 1.0 110.305 179.769 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.533 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.4 mp -66.27 -26.24 37.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 1.0 110.192 179.804 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.539 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -68.92 -56.86 6.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.112 -0.495 . . . . 1.0 110.313 179.811 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.416 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -41.62 -61.92 0.99 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.456 179.992 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 tp -51.29 -38.82 54.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.415 179.903 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.655 HG12 ' O ' ' A' ' 38' ' ' VAL . 91.3 t -88.65 2.58 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.477 . . . . 1.0 110.497 179.792 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' TYR . 36.3 t80 -97.29 -55.76 2.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 1.0 110.568 -179.91 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.416 HD23 ' O ' ' A' ' 36' ' ' MET . 0.3 OUTLIER -72.75 -5.74 39.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.342 -0.39 . . . . 1.0 110.564 179.964 . . . . . . . . 3 3 . 1 . 033 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.427 ' O ' ' ND2' ' A' ' 46' ' ' ASN . 83.3 mt -123.45 -12.29 7.77 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.183 -0.462 . . . . 1.0 110.549 179.816 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -125.73 -6.22 6.12 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.068 -0.813 . . . . 1.0 111.068 -179.796 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.484 ' N ' ' O ' ' A' ' 39' ' ' PHE . 3.0 m -136.68 32.04 2.76 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.763 0.316 . . . . 1.0 110.648 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.6 m -128.93 -47.14 1.24 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.063 179.726 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -128.36 15.41 6.08 Favored Glycine 0 CA--C 1.524 0.596 0 N-CA-C 110.346 -1.102 . . . . 1.0 110.346 179.528 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 44.5 m-80 -123.72 -59.47 1.52 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.882 0.372 . . . . 1.0 110.592 -179.793 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.94 -49.96 67.83 Favored Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.041 -0.824 . . . . 1.0 111.041 -179.925 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.1 tp -52.48 -50.17 63.24 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.858 0.361 . . . . 1.0 110.276 -179.967 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 50' ' ' LEU . 12.2 t -60.96 -70.41 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.497 -179.995 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.467 ' N ' HG12 ' A' ' 49' ' ' VAL . 95.2 mt -44.11 -27.35 0.38 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 1.0 110.464 179.873 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.617 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.3 t90 -80.54 -48.21 13.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.561 179.971 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.08 -43.05 88.47 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.257 -0.429 . . . . 1.0 110.556 -179.977 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.7 t -59.89 -46.5 93.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.474 . . . . 1.0 110.673 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -56.9 -16.02 5.96 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.526 179.991 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.617 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 3.8 mtm-85 -107.93 4.75 25.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.078 -0.51 . . . . 1.0 110.709 -179.76 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.78 -25.53 5.02 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.366 -0.379 . . . . 1.0 110.355 179.895 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.1 ttmt -103.39 -23.95 13.52 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 1.0 110.516 -179.913 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -79.41 -29.71 48.26 Favored Glycine 0 CA--C 1.523 0.58 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.99 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -63.2 -11.13 18.7 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.758 0.313 . . . . 1.0 110.536 -179.936 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -148.36 66.54 1.07 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.587 -179.893 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 62' ' ' HIS . 1.6 t60 -159.45 134.55 8.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.617 179.986 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' O ' ' A' ' 61' ' ' HIS . 16.0 t60 58.37 127.49 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.685 -179.848 . . . . . . . . 2 2 . 1 . 033 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 39.5 t-80 49.28 50.31 18.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.204 -0.453 . . . . 1.0 109.882 -179.658 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.947 -1.025 . . . . 1.0 110.786 -179.428 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.9 mmm . . . . . 0 N--CA 1.489 1.499 0 N-CA-C 109.397 -0.594 . . . . 1.0 109.397 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 41.79 -162.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 1.0 110.565 179.92 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -179.31 177.72 0.75 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.597 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 5' ' ' GLY . . . 145.04 135.94 2.94 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.976 -0.85 . . . . 1.0 110.976 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.415 ' O ' ' O ' ' A' ' 4' ' ' GLY . . . -58.25 -117.35 0.01 OUTLIER Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.515 ' N ' ' OD1' ' A' ' 6' ' ' ASP . 17.3 p-10 -159.95 60.29 0.36 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.778 0.323 . . . . 1.0 110.568 179.965 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER 47.41 -167.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.616 179.982 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.471 ' O ' ' N ' ' A' ' 10' ' ' TYR . 1.3 t0 -55.97 -10.02 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 1.0 110.597 179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.527 ' OD1' ' N ' ' A' ' 10' ' ' TYR . 17.7 t-20 41.34 -94.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.091 -0.504 . . . . 1.0 110.549 179.977 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' N ' ' OD1' ' A' ' 9' ' ' ASN . 2.5 m-85 -43.83 140.69 1.83 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.448 179.975 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.4 t80 61.51 38.73 15.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.412 -179.846 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.37 26.73 0.02 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.865 -0.894 . . . . 1.0 110.865 -179.998 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -123.75 -30.0 3.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 1.0 110.315 179.856 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.417 ' O ' ' N ' ' A' ' 17' ' ' SER . 1.1 m-20 -101.78 -24.31 14.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.108 -0.496 . . . . 1.0 110.451 179.873 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -48.59 -20.74 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 1.0 110.518 179.968 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -94.14 -26.01 16.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.613 179.923 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.521 ' O ' ' N ' ' A' ' 20' ' ' GLU . 20.0 p -70.74 -40.42 72.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.527 -179.997 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -42.05 -24.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.587 179.984 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.7 OUTLIER -82.67 -36.76 25.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.585 -180.0 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.9 mm-40 -99.32 2.29 45.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.547 -179.97 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.434 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.6 t80 -75.44 -66.17 0.8 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 1.0 110.552 -179.976 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 9.0 p -49.15 -21.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 1.0 110.529 -179.958 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.22 -48.05 6.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.512 -179.925 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.439 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -45.44 -50.46 12.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.605 179.985 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 18.0 tttm -47.3 -25.11 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.578 -179.986 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 33.2 t -101.76 -45.26 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.536 -179.98 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 6.3 m -87.77 22.8 2.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.268 -0.423 . . . . 1.0 110.538 179.988 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -130.41 33.83 2.81 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.847 -0.901 . . . . 1.0 110.847 179.944 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -140.05 3.77 2.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 1.0 110.67 179.963 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.42 -36.0 0.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.808 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.621 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.7 OUTLIER -74.0 -35.34 2.36 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 1.0 111.56 179.922 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.621 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.4 Cg_exo -59.93 -35.52 93.24 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.138 1.892 . . . . 1.0 112.08 -179.798 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.95 -69.66 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.545 -179.853 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . 0.481 ' N ' HD12 ' A' ' 34' ' ' ILE . 1.6 mp -50.51 -52.12 16.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 1.0 110.439 179.986 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.6 OUTLIER -41.51 -58.05 2.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.178 -0.464 . . . . 1.0 110.427 179.948 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.5 mmt -51.21 -61.85 1.98 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.277 -0.419 . . . . 1.0 110.637 179.899 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.4 tt -55.48 -13.42 1.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.654 -179.844 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 38' ' ' VAL . 93.6 t -116.91 5.39 7.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.645 179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.529 ' N ' ' O ' ' A' ' 35' ' ' TYR . 52.1 t80 -119.04 -13.62 9.39 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.758 179.957 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.413 ' O ' ' OG1' ' A' ' 44' ' ' THR . 2.1 pp -122.14 -18.14 6.98 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.324 -0.398 . . . . 1.0 110.688 -179.929 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.803 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -112.06 -45.82 3.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 1.0 109.736 179.85 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -86.66 -0.98 85.81 Favored Glycine 0 CA--C 1.524 0.653 0 N-CA-C 111.238 -0.745 . . . . 1.0 111.238 179.857 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.734 HG22 ' O ' ' A' ' 43' ' ' THR . 85.0 m -131.31 19.96 4.83 Favored 'General case' 0 C--O 1.231 0.116 0 CA-C-O 120.768 0.318 . . . . 1.0 110.641 179.999 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 40' ' ' LEU . 91.9 m -125.23 -37.1 2.43 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.087 -0.506 . . . . 1.0 110.454 179.838 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -130.26 23.03 4.65 Favored Glycine 0 CA--C 1.524 0.629 0 N-CA-C 110.84 -0.904 . . . . 1.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 55.4 m-80 -135.26 -43.54 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.824 0.345 . . . . 1.0 110.475 -179.99 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -73.43 -43.07 39.09 Favored Glycine 0 CA--C 1.524 0.643 0 N-CA-C 110.863 -0.895 . . . . 1.0 110.863 179.967 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 23.0 tp -56.27 -49.58 73.8 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.751 0.31 . . . . 1.0 110.204 179.992 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.468 HG12 ' N ' ' A' ' 50' ' ' LEU . 16.2 t -60.67 -71.63 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.565 179.973 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' N ' HG12 ' A' ' 49' ' ' VAL . 9.1 mt -42.14 -26.37 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.572 179.979 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.636 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 71.0 t90 -83.46 -47.94 10.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.629 -179.931 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -66.46 -43.98 84.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.325 -0.398 . . . . 1.0 110.51 179.95 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.2 t -58.9 -48.66 85.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 1.0 110.671 -179.889 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -55.24 -16.73 3.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 1.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.636 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.8 mtm-85 -103.84 -9.65 18.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 1.0 110.646 -179.841 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? -105.81 -24.27 12.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.114 179.425 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 25.9 tttt -97.74 -19.78 18.0 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.093 -0.503 . . . . 1.0 109.707 179.36 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -59.42 -47.18 92.13 Favored Glycine 0 CA--C 1.517 0.197 0 N-CA-C 109.81 -1.316 . . . . 1.0 109.81 179.221 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.46 ' O ' ' N ' ' A' ' 61' ' ' HIS . 0.2 OUTLIER -165.06 22.11 0.05 Allowed 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 115.443 -0.378 . . . . 1.0 110.283 179.648 . . . . . . . . 3 3 . 1 . 034 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.499 ' O ' ' ND1' ' A' ' 60' ' ' HIS . 23.7 p80 40.21 26.94 0.03 OUTLIER 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 115.971 -0.559 . . . . 1.0 110.203 -179.761 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.633 ' CG ' ' H ' ' A' ' 62' ' ' HIS . 6.7 t-160 -102.89 -135.57 0.33 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.806 -0.633 . . . . 1.0 110.586 179.928 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.633 ' H ' ' CG ' ' A' ' 61' ' ' HIS . 2.0 m-70 -100.94 -79.9 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.585 -179.962 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.514 ' O ' ' CD2' ' A' ' 64' ' ' HIS . 36.6 t-80 -100.47 43.66 1.05 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.299 -0.41 . . . . 1.0 110.525 -179.951 . . . . . . . . 2 2 . 1 . 034 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.514 ' CD2' ' O ' ' A' ' 63' ' ' HIS . 31.2 p80 . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.951 -1.023 . . . . 1.0 110.552 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.329 -0.619 . . . . 1.0 109.329 . . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -81.01 132.47 35.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.13 -0.486 . . . . 1.0 110.631 -179.997 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -172.57 56.79 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.267 -0.424 . . . . 1.0 110.545 -179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.13 68.51 0.12 Allowed Glycine 0 CA--C 1.525 0.691 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -88.19 -74.18 1.28 Allowed Glycine 0 CA--C 1.525 0.68 0 N-CA-C 110.828 -0.909 . . . . 1.0 110.828 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 19.1 t0 61.77 53.77 3.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.754 0.311 . . . . 1.0 110.576 -179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.0 m-85 -159.5 87.09 0.81 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.582 179.932 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -150.81 14.62 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 1.0 110.58 179.985 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.495 HD22 ' N ' ' A' ' 9' ' ' ASN . 1.4 m-80 -59.67 -92.55 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.579 179.947 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -41.69 133.69 2.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.552 179.983 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 2.5 t80 66.66 41.31 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.502 -179.9 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 177.61 -22.28 0.05 OUTLIER Glycine 0 CA--C 1.524 0.634 0 N-CA-C 110.851 -0.9 . . . . 1.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.35 -28.05 16.41 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.832 0.348 . . . . 1.0 110.418 179.962 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -104.99 -15.56 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.977 -0.556 . . . . 1.0 110.288 179.819 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -57.32 -20.37 28.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.055 -0.52 . . . . 1.0 110.479 -179.96 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -100.51 -1.22 36.22 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 1.0 110.56 -179.968 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.441 ' C ' ' N ' ' A' ' 19' ' ' CYS . 17.8 p -98.38 -37.85 9.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.449 . . . . 1.0 110.584 -179.995 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -46.72 -18.65 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 1.0 110.529 179.958 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.441 ' N ' ' C ' ' A' ' 17' ' ' SER . 31.3 t -75.49 -40.98 56.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.127 -0.488 . . . . 1.0 110.604 -179.929 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -97.59 -7.95 30.06 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.229 -0.441 . . . . 1.0 110.594 -179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 32.0 t80 -54.08 -30.63 49.1 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.261 -0.427 . . . . 1.0 110.679 179.985 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 4.92 27.13 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.156 -0.475 . . . . 1.0 110.656 -179.927 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 45.7 m-20 -125.85 -56.15 1.48 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.036 -0.529 . . . . 1.0 110.314 179.866 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.596 ' CE3' ' N ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -40.66 -36.89 0.66 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.092 -0.503 . . . . 1.0 110.784 179.891 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.596 ' N ' ' CE3' ' A' ' 24' ' ' TRP . 47.0 tttp -46.49 -39.11 10.19 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.294 -0.412 . . . . 1.0 110.426 -179.968 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 66.6 m -110.28 -36.38 5.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.616 -179.942 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.3 m -96.55 31.08 2.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.544 179.994 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.39 28.21 3.17 Favored Glycine 0 CA--C 1.524 0.619 0 N-CA-C 110.981 -0.848 . . . . 1.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -129.91 11.1 5.57 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.739 0.304 . . . . 1.0 110.798 -179.863 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -153.07 -36.33 0.11 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.394 -0.366 . . . . 1.0 110.832 179.908 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.611 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.9 OUTLIER -75.56 -35.27 1.75 Allowed Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.388 -0.369 . . . . 1.0 111.898 179.946 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 49.4 Cg_exo -53.72 -23.39 26.21 Favored 'Trans proline' 0 N--CA 1.495 1.577 0 C-N-CA 122.195 1.93 . . . . 1.0 112.428 -179.182 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -61.13 -69.23 0.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.407 -0.361 . . . . 1.0 110.475 179.953 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -59.07 -35.97 59.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.158 -0.474 . . . . 1.0 109.966 179.836 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.542 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -59.33 -61.31 2.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.118 -0.492 . . . . 1.0 110.657 -179.937 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -40.89 -52.08 3.1 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.274 -0.421 . . . . 1.0 110.73 -179.989 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.55 -35.25 72.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 1.0 110.642 -179.92 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.637 HG12 ' O ' ' A' ' 38' ' ' VAL . 88.8 t -95.65 0.75 10.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.472 179.943 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.542 ' N ' ' O ' ' A' ' 35' ' ' TYR . 10.3 t80 -95.64 -59.21 1.92 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.04 -0.527 . . . . 1.0 110.257 179.954 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -66.55 -9.1 31.54 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.4 179.821 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.3 mt -80.15 -59.65 2.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 1.0 109.843 179.504 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.526 ' O ' ' N ' ' A' ' 46' ' ' ASN . . . -80.29 -48.24 6.5 Favored Glycine 0 CA--C 1.525 0.666 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.808 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 5.7 m -51.96 -6.71 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.939 -0.304 . . . . 1.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.523 ' H ' ' C ' ' A' ' 42' ' ' GLY . 1.8 m -107.07 -29.12 9.59 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.338 -0.392 . . . . 1.0 110.428 179.804 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.473 ' C ' ' ND2' ' A' ' 46' ' ' ASN . . . -126.2 25.55 5.44 Favored Glycine 0 CA--C 1.524 0.651 0 N-CA-C 111.002 -0.839 . . . . 1.0 111.002 -179.963 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.526 ' N ' ' O ' ' A' ' 42' ' ' GLY . 6.7 m-80 -153.78 -52.96 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.805 0.336 . . . . 1.0 110.428 -179.972 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -68.12 -40.12 88.32 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.651 -0.98 . . . . 1.0 110.651 179.879 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 18.6 tp -55.87 -55.73 29.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.804 0.335 . . . . 1.0 110.318 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.6 t -58.32 -64.63 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.381 179.791 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.6 mt -47.58 -30.42 3.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.248 -0.433 . . . . 1.0 110.341 179.764 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . . . . . . . . . 62.7 t90 -79.46 -42.75 24.65 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.003 -0.544 . . . . 1.0 110.327 179.941 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 89.8 m -66.23 -48.54 70.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.988 -0.551 . . . . 1.0 110.284 179.845 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 38.6 t -55.28 -45.6 77.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.472 179.837 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.453 ' CB ' HH21 ' A' ' 55' ' ' ARG . 0.8 OUTLIER -64.74 -28.24 69.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 1.0 110.381 179.814 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.664 ' N ' ' HE ' ' A' ' 55' ' ' ARG . 0.0 OUTLIER -83.59 -11.99 56.65 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.143 -0.481 . . . . 1.0 110.572 179.795 . . . . . . . . 3 3 . 1 . 035 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.25 -32.13 11.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 1.0 110.731 -179.543 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.62 -13.59 34.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.288 -0.415 . . . . 1.0 110.53 179.976 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.417 ' C ' ' H ' ' A' ' 60' ' ' HIS . . . -90.3 -53.4 2.33 Favored Glycine 0 CA--C 1.524 0.598 0 N-CA-C 110.843 -0.903 . . . . 1.0 110.843 -179.909 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -71.99 8.8 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.777 0.323 . . . . 1.0 110.68 -179.966 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.417 ' H ' ' C ' ' A' ' 58' ' ' GLY . 1.3 t-160 -54.91 -43.67 73.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.575 -179.979 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 85.6 m-70 -145.41 -157.98 0.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.1 -0.5 . . . . 1.0 110.563 179.952 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -93.45 -66.06 0.95 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.224 -0.444 . . . . 1.0 110.506 179.894 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.453 ' CG ' ' O ' ' A' ' 63' ' ' HIS . 1.1 t60 -97.51 41.4 1.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.512 179.956 . . . . . . . . 2 2 . 1 . 035 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 9.2 m170 . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.949 -1.024 . . . . 1.0 110.58 179.996 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mtp . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.39 -0.596 . . . . 1.0 109.39 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -80.98 66.49 6.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 1.0 110.561 -179.99 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 63.31 151.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.566 179.999 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -165.68 122.19 1.05 Allowed Glycine 0 CA--C 1.524 0.627 0 N-CA-C 110.957 -0.857 . . . . 1.0 110.957 179.962 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -144.21 -141.54 3.78 Favored Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.97 -0.852 . . . . 1.0 110.97 179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 174.19 72.94 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.834 0.35 . . . . 1.0 110.551 179.985 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.445 ' C ' ' N ' ' A' ' 9' ' ' ASN . 89.3 t80 -91.39 125.19 36.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.618 179.931 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 42.95 22.81 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 1.0 110.495 179.988 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.48 ' C ' ' H ' ' A' ' 11' ' ' TYR . 0.9 OUTLIER -48.12 -64.65 0.74 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 1.0 110.551 179.976 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -71.15 40.5 0.06 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.122 -0.49 . . . . 1.0 110.634 -179.958 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.48 ' H ' ' C ' ' A' ' 9' ' ' ASN . 0.1 OUTLIER -169.64 38.26 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.11 0.481 . . . . 1.0 110.331 179.971 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 149.73 27.06 0.06 OUTLIER Glycine 0 CA--C 1.525 0.657 0 N-CA-C 110.906 -0.877 . . . . 1.0 110.906 179.914 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.416 ' O ' ' OE1' ' A' ' 16' ' ' GLN . . . -108.18 -36.14 6.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.797 0.332 . . . . 1.0 110.529 179.959 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.63 -26.02 20.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.475 179.87 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -53.09 -15.7 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.102 -0.499 . . . . 1.0 110.46 179.978 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.416 ' OE1' ' O ' ' A' ' 13' ' ' ALA . 6.0 pt20 -100.99 -14.28 17.92 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.563 -179.953 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.469 ' C ' ' H ' ' A' ' 19' ' ' CYS . 43.9 t -98.3 -27.02 14.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.561 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -56.58 -5.81 0.25 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.273 -0.421 . . . . 1.0 110.575 -179.984 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.469 ' H ' ' C ' ' A' ' 17' ' ' SER . 25.3 t -101.5 -35.45 9.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.45 . . . . 1.0 110.532 -179.951 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -88.97 -25.89 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 1.0 110.551 179.977 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 2.7 t80 -49.97 -35.77 25.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.514 -179.996 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.5 t -75.15 -18.3 60.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 1.0 110.595 179.965 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.9 -53.49 3.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.578 179.964 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.515 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.4 OUTLIER -45.42 -51.68 11.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.579 179.972 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 77.1 tttt -49.81 -22.8 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.591 -179.897 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.14 -47.12 5.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.567 -179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.8 m -86.02 13.62 7.38 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.251 -0.432 . . . . 1.0 110.512 -179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -123.75 36.17 3.07 Favored Glycine 0 CA--C 1.523 0.581 0 N-CA-C 110.772 -0.931 . . . . 1.0 110.772 179.98 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -144.7 -2.4 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.695 0.284 . . . . 1.0 110.68 -179.956 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -139.15 -34.71 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.375 -0.375 . . . . 1.0 110.807 -179.93 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mt -74.51 -35.41 2.17 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 1.0 111.45 179.809 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.0 Cg_exo -60.25 -23.54 74.47 Favored 'Trans proline' 0 N--CA 1.493 1.484 0 C-N-CA 122.171 1.914 . . . . 1.0 112.023 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.61 -69.54 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 1.0 110.736 -179.879 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 20.8 mt -57.84 -47.96 84.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.849 0.357 . . . . 1.0 110.35 179.952 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -40.96 -47.27 2.99 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.597 179.976 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -55.52 33.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.001 -0.545 . . . . 1.0 110.723 -179.825 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' O ' ' CB ' ' A' ' 41' ' ' LEU . 1.2 tp -61.26 -36.93 81.35 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.662 -0.415 . . . . 1.0 110.502 -179.908 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 38' ' ' VAL . 25.5 t -79.52 -9.15 12.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.93 0.395 . . . . 1.0 110.234 179.758 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -99.6 -53.41 3.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.119 -0.491 . . . . 1.0 110.76 179.971 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -86.74 -22.67 25.85 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.655 -179.905 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.477 ' CB ' ' O ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -115.71 23.06 12.61 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.993 -0.549 . . . . 1.0 110.208 179.998 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -152.01 -32.48 0.04 OUTLIER Glycine 0 CA--C 1.526 0.756 0 CA-C-N 115.747 -0.661 . . . . 1.0 111.464 -179.823 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 4.1 m -119.29 34.99 4.99 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.69 0.281 . . . . 1.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 93.6 m -140.31 -59.96 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.379 . . . . 1.0 110.427 179.813 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.19 -15.24 65.0 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.713 -0.955 . . . . 1.0 110.713 179.839 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.588 HD22 ' N ' ' A' ' 46' ' ' ASN . 0.8 OUTLIER -67.88 -56.11 10.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.764 0.316 . . . . 1.0 110.538 179.933 . . . . . . . . 3 3 . 1 . 036 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -58.73 -51.77 57.04 Favored Glycine 0 CA--C 1.523 0.571 0 N-CA-C 110.808 -0.917 . . . . 1.0 110.808 179.955 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 7.3 tp -50.05 -46.42 53.17 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.872 -0.331 . . . . 1.0 110.218 179.862 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 4.1 t -62.14 -58.84 5.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.133 -0.485 . . . . 1.0 110.3 179.747 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.542 ' O ' ' CD1' ' A' ' 54' ' ' PHE . 90.9 mt -60.12 -10.99 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.378 -0.374 . . . . 1.0 110.506 179.806 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.57 ' CZ2' ' NH1' ' A' ' 55' ' ' ARG . 27.8 t90 -99.85 -37.43 9.06 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.513 -179.622 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 64.8 m -81.05 -42.34 21.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.05 0.452 . . . . 1.0 109.84 179.287 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 51.3 t -66.74 -32.94 60.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.799 -0.637 . . . . 1.0 110.108 179.364 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.542 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 1.2 m-85 -58.27 -23.54 56.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.76 -0.655 . . . . 1.0 110.589 179.966 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.57 ' NH1' ' CZ2' ' A' ' 51' ' ' TRP . 21.8 mtt180 -94.23 -22.28 18.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.135 -0.484 . . . . 1.0 110.788 -179.792 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.3 ptmt -91.89 -27.33 17.99 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.415 -0.357 . . . . 1.0 110.483 -179.938 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.1 tttm -104.19 -8.83 19.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.108 -0.497 . . . . 1.0 110.402 179.832 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -88.64 -32.3 11.66 Favored Glycine 0 CA--C 1.526 0.731 0 N-CA-C 110.971 -0.852 . . . . 1.0 110.971 179.961 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.3 m-70 -54.74 -51.12 66.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.837 0.351 . . . . 1.0 110.593 179.945 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 63.4 m80 -76.12 59.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.217 -0.447 . . . . 1.0 110.609 179.98 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 -67.57 -40.24 84.88 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.591 -179.973 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 5.7 t-80 -167.58 -65.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.572 179.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 66.4 m-70 -101.12 42.73 1.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.58 179.926 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.406 ' ND1' ' N ' ' A' ' 64' ' ' HIS . 2.7 m-70 . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.958 -1.02 . . . . 1.0 110.556 179.973 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.0 ttt . . . . . 0 N--CA 1.489 1.512 0 N-CA-C 109.347 -0.612 . . . . 1.0 109.347 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 46.78 80.01 0.05 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.623 -179.988 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -178.38 169.21 1.82 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.568 -179.999 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.33 -131.09 1.46 Allowed Glycine 0 CA--C 1.524 0.62 0 N-CA-C 110.977 -0.849 . . . . 1.0 110.977 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -106.09 -124.03 5.25 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -173.08 66.93 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.76 0.314 . . . . 1.0 110.59 -179.946 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -139.86 66.17 1.4 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.549 -179.997 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -158.7 19.7 0.21 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 1.0 110.596 -179.982 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.487 ' C ' ' H ' ' A' ' 11' ' ' TYR . 5.1 t-20 -61.92 -69.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.441 . . . . 1.0 110.595 -179.952 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 10.1 p90 -71.1 39.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.016 0.436 . . . . 1.0 110.611 -179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.487 ' H ' ' C ' ' A' ' 9' ' ' ASN . 2.9 t80 -168.97 40.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.054 -0.521 . . . . 1.0 110.444 179.981 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 153.5 31.29 0.03 OUTLIER Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.875 -0.89 . . . . 1.0 110.875 -179.845 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -129.39 -28.19 2.34 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.755 0.312 . . . . 1.0 110.681 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -84.05 -37.55 21.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.339 -0.391 . . . . 1.0 110.568 179.96 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -51.93 -34.67 42.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.052 -0.522 . . . . 1.0 110.63 -179.962 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -96.57 6.02 49.57 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.284 -0.416 . . . . 1.0 110.519 179.974 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.535 ' O ' ' N ' ' A' ' 21' ' ' TYR . 4.2 t -103.18 -46.66 4.56 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 1.0 110.692 -179.963 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -39.56 -57.63 1.43 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.348 -0.387 . . . . 1.0 110.784 -179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 88.8 m -55.22 -28.93 56.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.63 -179.918 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 17' ' ' SER . 19.1 mm-40 -110.08 15.54 22.42 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.95 -179.742 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.535 ' N ' ' O ' ' A' ' 17' ' ' SER . 32.8 t80 -78.01 -53.08 7.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.953 0.406 . . . . 1.0 110.454 -179.965 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 20.8 p -56.87 -14.5 3.54 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.088 -0.505 . . . . 1.0 110.404 179.888 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.65 -52.04 3.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.95 -0.568 . . . . 1.0 110.829 -179.936 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.514 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.0 OUTLIER -39.24 -41.36 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.41 -0.359 . . . . 1.0 111.073 -179.765 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.6 tttm -44.0 -38.24 3.41 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.405 -0.361 . . . . 1.0 110.58 -179.615 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 6.3 m -110.91 -36.75 5.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.96 -0.564 . . . . 1.0 110.801 -179.921 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 20.6 t -91.74 18.08 8.1 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.481 -179.908 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -81.06 -3.36 90.69 Favored Glycine 0 CA--C 1.524 0.604 0 N-CA-C 110.853 -0.899 . . . . 1.0 110.853 -179.999 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -91.72 -7.62 49.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.695 0.284 . . . . 1.0 110.76 -179.998 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 pp -131.84 -15.15 3.07 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.223 -0.444 . . . . 1.0 111.214 -179.717 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 16.1 mt -78.87 -33.12 0.85 Allowed Pre-proline 0 CA--C 1.535 0.395 0 N-CA-C 112.07 0.396 . . . . 1.0 112.07 -179.81 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 41.7 Cg_exo -54.25 -18.91 15.26 Favored 'Trans proline' 0 N--CA 1.494 1.537 0 C-N-CA 121.98 1.787 . . . . 1.0 112.136 -179.592 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -67.95 -63.42 1.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.163 -0.472 . . . . 1.0 110.233 179.862 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 2.6 mt -63.45 -45.51 97.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 1.0 109.934 179.469 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -42.34 -52.09 4.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.999 -0.546 . . . . 1.0 110.027 179.719 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.446 ' SD ' ' O ' ' A' ' 32' ' ' PRO . 0.0 OUTLIER -47.7 -63.93 0.92 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.041 -0.527 . . . . 1.0 110.28 179.717 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.523 ' HG ' HD23 ' A' ' 41' ' ' LEU . 1.4 tp -51.96 -41.78 62.36 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.253 -0.43 . . . . 1.0 110.352 179.753 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.613 HG12 ' O ' ' A' ' 38' ' ' VAL . 84.2 t -80.67 -2.64 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 1.0 110.95 -179.774 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.524 ' N ' ' O ' ' A' ' 35' ' ' TYR . 78.0 t80 -105.17 -33.35 8.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.334 -0.394 . . . . 1.0 110.546 179.945 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -94.12 -2.88 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.78 -179.964 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.68 ' C ' HD12 ' A' ' 41' ' ' LEU . 0.3 OUTLIER -123.74 -30.71 3.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.295 -0.411 . . . . 1.0 110.096 179.623 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -96.97 -2.99 59.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.023 -0.831 . . . . 1.0 111.023 179.913 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.07 22.16 3.5 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.754 0.311 . . . . 1.0 110.48 179.947 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 16.6 m -123.44 -37.88 2.61 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.051 -0.522 . . . . 1.0 110.441 179.876 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.51 19.06 4.56 Favored Glycine 0 CA--C 1.525 0.671 0 N-CA-C 110.799 -0.92 . . . . 1.0 110.799 179.902 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.512 ' ND2' ' O ' ' A' ' 41' ' ' LEU . 15.0 m-80 -126.24 -47.01 1.62 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.762 0.315 . . . . 1.0 110.398 -179.977 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -76.75 -48.54 8.68 Favored Glycine 0 CA--C 1.523 0.582 0 N-CA-C 110.815 -0.914 . . . . 1.0 110.815 179.891 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 53.5 tp -59.05 -41.78 88.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.852 0.358 . . . . 1.0 110.333 179.885 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 20.3 t -65.76 -62.72 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.153 -0.476 . . . . 1.0 110.601 -179.904 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.419 HD12 ' O ' ' A' ' 46' ' ' ASN . 8.3 mt -51.99 -25.39 8.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.665 -179.879 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.618 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 69.8 t90 -85.14 -48.53 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.635 -179.797 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.8 m -64.83 -39.49 93.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.311 -0.404 . . . . 1.0 110.503 -179.915 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.8 t -63.16 -45.95 97.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 1.0 110.667 -179.87 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -55.46 -18.03 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.476 . . . . 1.0 110.774 -179.84 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.618 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.1 mtm-85 -106.97 2.68 25.36 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.224 -0.443 . . . . 1.0 110.925 -179.604 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 4.1 ptmt -119.28 -25.62 6.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.333 -0.394 . . . . 1.0 110.223 179.648 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 32.9 tttp -102.6 -27.61 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.058 -0.519 . . . . 1.0 110.492 179.919 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.79 -34.62 27.17 Favored Glycine 0 CA--C 1.523 0.532 0 N-CA-C 110.591 -1.004 . . . . 1.0 110.591 179.848 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -74.02 -12.13 60.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.796 0.331 . . . . 1.0 110.601 -179.995 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 20.7 t-160 -157.22 91.77 1.2 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 1.0 110.58 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.55 ' HE2' ' C ' ' A' ' 64' ' ' HIS . 0.3 OUTLIER -62.79 -80.43 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.228 -0.442 . . . . 1.0 110.648 -179.956 . . . . . . . . 3 3 . 1 . 037 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.409 ' H ' ' CD2' ' A' ' 61' ' ' HIS . 60.8 m80 -142.46 -82.2 0.2 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.363 -0.381 . . . . 1.0 110.672 -179.897 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.455 ' O ' ' CG ' ' A' ' 64' ' ' HIS . 44.6 m-70 -86.96 40.25 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.275 -0.42 . . . . 1.0 110.623 -179.941 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . 0.55 ' C ' ' HE2' ' A' ' 61' ' ' HIS . 41.2 p-80 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.074 -0.965 . . . . 1.0 110.689 179.992 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.678 ' N ' HG21 ' A' ' 44' ' ' THR . 42.7 ttp . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.368 -0.604 . . . . 1.0 109.368 . . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -89.69 148.82 23.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.204 -0.453 . . . . 1.0 110.547 -179.984 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.526 ' O ' HG23 ' A' ' 44' ' ' THR . 2.2 mt-10 53.44 -172.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.454 . . . . 1.0 110.491 179.901 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -134.69 -134.51 3.4 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.845 -0.902 . . . . 1.0 110.845 -179.989 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 177.91 -71.13 0.08 OUTLIER Glycine 0 CA--C 1.524 0.654 0 N-CA-C 110.89 -0.884 . . . . 1.0 110.89 179.982 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 4.9 t70 66.16 58.16 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.775 0.321 . . . . 1.0 110.674 179.931 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -136.42 43.51 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.264 -0.425 . . . . 1.0 110.55 179.919 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -137.96 6.78 2.67 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.109 -0.496 . . . . 1.0 110.545 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' O ' ' O ' ' A' ' 10' ' ' TYR . 0.0 OUTLIER -57.82 -170.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.596 -179.885 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.432 ' O ' ' O ' ' A' ' 9' ' ' ASN . 67.0 t80 44.09 97.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.852 179.903 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 71.61 39.3 0.89 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.195 0.521 . . . . 1.0 110.331 179.99 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -170.88 -21.94 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 110.879 -0.888 . . . . 1.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -102.08 -25.36 13.76 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.927 0.394 . . . . 1.0 110.287 179.818 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -102.95 -18.58 14.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.967 -0.561 . . . . 1.0 110.138 179.79 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -62.84 -33.49 75.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.968 -0.56 . . . . 1.0 110.514 179.904 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 16.1 pt20 -93.44 16.36 13.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 1.0 110.51 -179.96 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.53 ' O ' ' N ' ' A' ' 21' ' ' TYR . 1.3 p -116.25 -54.23 2.49 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.101 -0.499 . . . . 1.0 110.644 179.975 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' N ' ' OG ' ' A' ' 17' ' ' SER . 55.2 mt-10 -62.78 -43.87 97.67 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.276 -0.42 . . . . 1.0 110.679 -179.951 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 2.3 t -71.08 -33.53 70.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.158 -0.473 . . . . 1.0 110.695 -179.872 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -102.64 11.77 37.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.337 -0.392 . . . . 1.0 110.77 -179.852 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.53 ' N ' ' O ' ' A' ' 17' ' ' SER . 0.6 OUTLIER -76.1 -49.73 16.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 1.0 110.535 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.4 p -61.3 -25.33 67.05 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.148 -0.478 . . . . 1.0 110.504 179.99 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -91.52 -45.64 8.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 1.0 110.757 -179.908 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.9 OUTLIER -43.44 -52.61 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.315 -0.402 . . . . 1.0 110.8 -179.875 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.1 tttp -42.1 -26.67 0.1 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 1.0 110.562 -179.755 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 24' ' ' TRP . 1.4 t -106.13 -42.97 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 1.0 110.695 -179.965 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.482 ' C ' ' H ' ' A' ' 29' ' ' ALA . 17.2 m -76.83 0.45 20.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.424 179.983 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -55.9 -5.68 1.03 Allowed Glycine 0 CA--C 1.524 0.63 0 N-CA-C 110.866 -0.894 . . . . 1.0 110.866 179.972 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.482 ' H ' ' C ' ' A' ' 27' ' ' SER . . . -98.54 1.91 47.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.71 0.291 . . . . 1.0 110.778 -179.877 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -158.46 17.78 0.21 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.446 -0.343 . . . . 1.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 1.2 mm -77.41 -33.6 1.08 Allowed Pre-proline 0 CA--C 1.536 0.426 0 CA-C-N 116.45 -0.341 . . . . 1.0 111.646 179.917 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.62 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 37.2 Cg_exo -58.18 -27.8 81.65 Favored 'Trans proline' 0 N--CA 1.495 1.573 0 C-N-CA 121.904 1.736 . . . . 1.0 112.034 -179.813 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.9 -64.41 0.97 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 1.0 110.613 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -57.13 -47.52 83.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 1.0 110.417 -179.954 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.549 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -43.57 -52.51 6.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.594 -179.936 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 18.6 mmt -50.38 -66.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.259 -0.428 . . . . 1.0 110.666 -179.799 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -53.54 -23.16 9.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.232 -0.44 . . . . 1.0 111.0 -179.643 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.703 HG12 ' O ' ' A' ' 38' ' ' VAL . 69.2 t -107.29 9.49 9.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.572 -0.286 . . . . 1.0 111.096 -179.785 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.549 ' N ' ' O ' ' A' ' 35' ' ' TYR . 89.6 t80 -120.81 -25.51 5.42 Favored 'General case' 0 C--N 1.333 -0.127 0 CA-C-N 116.354 -0.385 . . . . 1.0 110.981 -179.834 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.9 pp -109.7 -0.31 18.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.368 -0.378 . . . . 1.0 110.754 -179.843 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.881 ' O ' HD12 ' A' ' 41' ' ' LEU . 0.1 OUTLIER -131.27 -37.57 1.24 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.999 -0.546 . . . . 1.0 109.53 179.747 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -94.81 -6.12 60.81 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 110.973 -0.851 . . . . 1.0 110.973 179.453 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -137.18 27.65 2.87 Favored 'General case' 0 C--O 1.232 0.145 0 C-N-CA 120.873 -0.331 . . . . 1.0 110.703 179.921 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.678 HG21 ' N ' ' A' ' 1' ' ' MET . 17.8 m -136.96 -52.43 0.68 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 1.0 110.378 179.794 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -95.31 -7.22 59.51 Favored Glycine 0 CA--C 1.524 0.61 0 N-CA-C 110.705 -0.958 . . . . 1.0 110.705 179.83 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' CG ' ' N ' ' A' ' 47' ' ' GLY . 0.0 OUTLIER -83.7 -51.97 6.81 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.814 0.34 . . . . 1.0 110.556 179.974 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.478 ' N ' ' CG ' ' A' ' 46' ' ' ASN . . . -69.12 -48.78 44.64 Favored Glycine 0 CA--C 1.524 0.632 0 N-CA-C 110.889 -0.884 . . . . 1.0 110.889 -179.997 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 44.3 tp -54.13 -49.38 69.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.767 0.318 . . . . 1.0 110.386 179.915 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 41.2 t -61.78 -69.87 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.909 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.9 mt -46.52 -22.95 0.32 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.472 179.916 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.629 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 72.0 t90 -85.15 -45.67 11.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.636 -179.925 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.6 m -70.35 -44.82 67.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 1.0 110.478 179.993 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.0 t -58.67 -38.9 74.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.113 -0.494 . . . . 1.0 110.661 -179.93 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -66.35 -15.6 63.39 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.198 -0.455 . . . . 1.0 110.582 -179.949 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.629 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 4.7 mtm-85 -109.5 0.17 19.12 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 1.0 111.113 -179.784 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.36 -29.38 7.25 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.843 0.354 . . . . 1.0 110.334 179.668 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.439 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -98.25 -29.53 13.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.451 179.981 . . . . . . . . 3 3 . 1 . 038 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -90.81 -37.56 6.38 Favored Glycine 0 CA--C 1.523 0.587 0 N-CA-C 111.026 -0.83 . . . . 1.0 111.026 -179.944 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 1.9 t-160 -73.95 -22.87 59.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.829 0.347 . . . . 1.0 110.614 -179.741 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.52 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 11.8 t-160 -77.34 40.2 0.27 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.233 -0.439 . . . . 1.0 110.477 179.986 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 2.4 t-80 -63.87 -62.49 1.61 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 1.0 110.526 -179.961 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.6 -65.75 0.13 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 1.0 110.517 -179.945 . . . . . . . . 2 2 . 1 . 038 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 32.6 m170 -100.7 42.04 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 1.0 110.523 -179.932 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 54.7 t60 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.936 -1.031 . . . . 1.0 110.613 -179.976 . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.398 -0.593 . . . . 1.0 109.398 . . . . . . . . . 0 0 . 1 . 039 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -101.01 79.2 2.0 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 1.0 110.619 179.997 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -57.58 -179.62 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 1.0 110.553 -179.961 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -97.56 -68.78 0.95 Allowed Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.986 -0.846 . . . . 1.0 110.986 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.91 127.21 27.62 Favored Glycine 0 CA--C 1.524 0.606 0 N-CA-C 110.986 -0.845 . . . . 1.0 110.986 179.922 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 37.1 t70 -159.15 50.16 0.35 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.857 0.361 . . . . 1.0 110.575 -179.989 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -52.85 101.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.609 179.983 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -136.84 2.93 2.67 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.583 -179.888 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.629 HD22 ' N ' ' A' ' 10' ' ' TYR . 0.2 OUTLIER 42.19 -129.75 0.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 1.0 110.522 -179.968 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.629 ' N ' HD22 ' A' ' 9' ' ' ASN . 0.1 OUTLIER 43.65 38.21 1.86 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.055 0.455 . . . . 1.0 110.506 -179.958 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 44.4 m-85 43.72 43.56 5.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.027 -0.533 . . . . 1.0 110.557 179.911 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 45.56 64.6 2.27 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.948 -0.861 . . . . 1.0 110.948 -179.95 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -136.73 -34.76 0.74 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.781 0.324 . . . . 1.0 110.617 -179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.467 ' CG ' ' CD2' ' A' ' 10' ' ' TYR . 1.6 m-20 -82.12 -35.6 28.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.229 -0.442 . . . . 1.0 110.548 179.959 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.62 -28.14 8.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 1.0 110.566 -179.977 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -95.1 -9.61 33.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 1.0 110.491 179.974 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.482 ' O ' ' N ' ' A' ' 20' ' ' GLU . 28.3 p -87.49 -50.03 6.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.568 179.966 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.5 mt-10 -41.84 -27.0 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.258 -0.428 . . . . 1.0 110.496 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.405 ' N ' ' O ' ' A' ' 17' ' ' SER . 1.2 m -75.51 -40.93 56.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.589 179.978 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 17' ' ' SER . 6.0 pt-20 -96.84 -0.46 47.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 1.0 110.658 179.987 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.44 ' N ' ' O ' ' A' ' 17' ' ' SER . 37.1 t80 -69.48 -31.81 70.32 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.129 -0.487 . . . . 1.0 110.574 -179.999 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.9 p -79.36 -16.15 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.458 . . . . 1.0 110.615 179.931 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.56 -55.09 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.578 -179.97 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.523 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.1 OUTLIER -43.19 -43.77 4.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.561 -179.995 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -49.88 -34.07 19.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 40.4 t -97.51 -35.04 10.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.557 179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 67.7 m -90.78 15.49 11.08 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.214 -0.448 . . . . 1.0 110.566 179.966 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -86.08 -9.29 77.25 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 110.878 -0.889 . . . . 1.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -93.91 43.47 1.11 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 1.0 110.249 179.694 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 pp -172.82 -28.1 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.021 -0.536 . . . . 1.0 110.971 -179.893 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.613 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 24.8 mt -73.04 -33.95 2.21 Favored Pre-proline 0 CA--C 1.534 0.363 0 N-CA-C 111.872 0.323 . . . . 1.0 111.872 -179.783 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.613 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 38.1 Cg_exo -58.3 -32.83 96.9 Favored 'Trans proline' 0 N--CA 1.494 1.526 0 C-N-CA 121.909 1.74 . . . . 1.0 111.999 -179.849 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -53.4 -67.62 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 1.0 110.477 -179.965 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.3 mm -50.9 -42.44 23.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 1.0 110.38 -179.998 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -56.7 -55.57 32.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.57 179.891 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 6.5 mmt -62.7 -58.17 8.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 1.0 110.627 179.987 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 41' ' ' LEU . 4.0 tt -48.13 -26.79 2.02 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 1.0 110.734 -179.954 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 49.8 t -95.01 -24.71 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.45 ' C ' ' H ' ' A' ' 41' ' ' LEU . 29.6 t80 -76.8 -58.23 3.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.242 -0.435 . . . . 1.0 110.638 -179.992 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.8 pp -64.59 1.1 0.89 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.171 -0.468 . . . . 1.0 110.582 -179.946 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.716 HD12 ' O ' ' A' ' 37' ' ' LEU . 2.0 mt -99.4 -66.36 0.91 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 1.0 110.658 -179.949 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . . . . . . . . . . . -91.87 12.16 70.22 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.144 -0.783 . . . . 1.0 111.144 -179.86 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.441 ' CB ' ' O ' ' A' ' 39' ' ' PHE . 0.2 OUTLIER -135.77 32.07 3.01 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.783 0.325 . . . . 1.0 110.589 179.999 . . . . . . . . 3 3 . 1 . 039 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.9 m -134.8 -51.05 0.78 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 1.0 110.36 179.793 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.84 1.28 30.29 Favored Glycine 0 CA--C 1.524 0.648 0 N-CA-C 110.671 -0.971 . . . . 1.0 110.671 179.827 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 30.1 m-80 -102.47 -61.39 1.4 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.771 0.32 . . . . 1.0 110.499 -179.959 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -52.21 -43.01 56.55 Favored Glycine 0 CA--C 1.524 0.609 0 N-CA-C 110.814 -0.914 . . . . 1.0 110.814 179.984 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 42.8 tp -59.89 -51.11 71.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.744 0.307 . . . . 1.0 110.278 179.938 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.445 HG12 ' N ' ' A' ' 50' ' ' LEU . 10.4 t -60.27 -67.91 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 1.0 110.447 179.981 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.445 ' N ' HG12 ' A' ' 49' ' ' VAL . 74.3 mt -45.91 -26.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 1.0 110.509 179.923 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.625 ' CD1' ' NH2' ' A' ' 55' ' ' ARG . 67.9 t90 -82.87 -46.68 12.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.152 -0.476 . . . . 1.0 110.599 -179.938 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 1.7 m -67.54 -45.49 75.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.304 -0.407 . . . . 1.0 110.498 -179.996 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 49.6 t -58.14 -48.03 85.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 1.0 110.727 -179.881 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -55.17 -18.75 6.31 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.331 -0.395 . . . . 1.0 110.678 -179.913 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.625 ' NH2' ' CD1' ' A' ' 51' ' ' TRP . 2.7 mtm-85 -101.43 -9.23 21.29 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.177 -0.465 . . . . 1.0 110.607 -179.663 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 ptmt -107.23 -23.96 12.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.308 -0.406 . . . . 1.0 109.932 179.52 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 29.0 tttm -89.48 -27.35 20.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.93 -0.577 . . . . 1.0 109.751 179.44 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -47.3 -51.08 15.96 Favored Glycine 0 C--N 1.33 0.204 0 N-CA-C 109.575 -1.41 . . . . 1.0 109.575 179.048 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.633 ' CG ' ' O ' ' A' ' 59' ' ' HIS . 42.8 t60 -168.65 20.42 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.635 0.731 . . . . 1.0 109.914 179.972 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . 0.49 ' CG ' ' O ' ' A' ' 60' ' ' HIS . 51.1 t-80 41.06 32.07 0.16 Allowed 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 116.002 -0.544 . . . . 1.0 110.378 179.561 . . . . . . . . 2 2 . 1 . 039 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -50.51 168.43 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.055 -0.521 . . . . 1.0 110.571 -179.901 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -66.39 -78.87 0.05 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.176 -0.465 . . . . 1.0 110.352 179.896 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 13.3 t-80 -92.3 39.26 1.02 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 1.0 110.296 179.81 . . . . . . . . 1 1 . 1 . 039 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 . . . . . 0 C--O 1.219 -0.523 0 CA-C-O 118.033 -0.984 . . . . 1.0 110.647 -179.888 . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.6 mmt . . . . . 0 N--CA 1.49 1.563 0 N-CA-C 109.4 -0.593 . . . . 1.0 109.4 . . . . . . . . . 0 0 . 1 . 040 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -165.23 71.81 0.17 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.137 -0.483 . . . . 1.0 110.518 179.989 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -173.06 42.71 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 1.0 110.552 179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 99.38 -86.34 0.7 Allowed Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.959 -0.856 . . . . 1.0 110.959 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 45.42 -165.76 0.06 OUTLIER Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.939 -0.864 . . . . 1.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -150.7 46.55 0.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.756 0.312 . . . . 1.0 110.525 -179.976 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 7' ' ' PHE . 0.3 OUTLIER 42.02 43.48 2.72 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.189 -0.46 . . . . 1.0 110.566 -179.979 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.421 ' O ' ' O ' ' A' ' 9' ' ' ASN . 21.0 t0 -152.86 40.59 0.56 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.533 -179.986 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.573 ' H ' HD22 ' A' ' 9' ' ' ASN . 0.8 OUTLIER -43.58 168.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.28 -0.418 . . . . 1.0 110.513 179.975 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.449 ' O ' ' O ' ' A' ' 9' ' ' ASN . 7.6 t80 58.46 143.31 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 1.0 110.875 179.833 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.8 t80 41.95 39.27 1.24 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.126 -0.488 . . . . 1.0 110.493 -179.902 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 161.61 29.49 0.02 OUTLIER Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.961 -0.856 . . . . 1.0 110.961 179.973 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -128.43 -27.72 2.62 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.77 0.319 . . . . 1.0 110.655 179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 -89.32 -31.78 17.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.286 -0.415 . . . . 1.0 110.622 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -51.35 -28.01 11.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 1.0 110.596 179.964 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -91.3 25.18 2.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 1.0 110.566 -179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.418 ' O ' ' N ' ' A' ' 21' ' ' TYR . 0.5 OUTLIER -136.89 -48.46 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.172 -0.467 . . . . 1.0 110.541 179.981 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.4 pt-20 -58.96 -20.96 57.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 1.0 110.579 -179.996 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 56.2 m -101.44 -29.77 11.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 1.0 110.582 -179.97 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -87.85 -16.67 33.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 1.0 110.556 -179.982 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.453 ' CD1' ' C ' ' A' ' 21' ' ' TYR . 1.2 t80 -67.79 -37.76 82.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 1.0 110.58 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -72.21 -18.64 61.83 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.239 -0.437 . . . . 1.0 110.578 -179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -96.59 -55.78 2.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 1.0 110.65 179.935 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 24' ' ' TRP . . . . . 0.504 ' O ' ' N ' ' A' ' 28' ' ' GLY . 0.2 OUTLIER -41.82 -40.55 2.1 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 1.0 110.587 179.994 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.4 tttt -51.88 -37.07 50.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.215 -0.448 . . . . 1.0 110.582 -179.972 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 35.9 m -97.85 -30.76 12.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.3 -0.409 . . . . 1.0 110.624 -179.937 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.2 m -92.76 13.46 20.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 1.0 110.538 -179.882 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 24' ' ' TRP . . . -85.85 0.12 87.73 Favored Glycine 0 CA--C 1.525 0.674 0 N-CA-C 110.936 -0.865 . . . . 1.0 110.936 179.947 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -103.03 41.71 1.23 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.8 0.333 . . . . 1.0 110.594 -179.974 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.1 pp -159.45 -32.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 1.0 110.944 179.952 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 ' N ' ' CD ' ' A' ' 32' ' ' PRO . 0.6 OUTLIER -71.35 -36.42 4.74 Favored Pre-proline 0 CA--C 1.532 0.263 0 CA-C-N 116.556 -0.293 . . . . 1.0 111.448 179.973 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 31' ' ' ILE . 24.6 Cg_exo -60.39 -34.02 93.65 Favored 'Trans proline' 0 N--CA 1.494 1.503 0 C-N-CA 122.112 1.874 . . . . 1.0 112.111 -179.69 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -52.2 -69.09 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 1.0 110.819 -179.709 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 1.2 mm -52.02 -47.28 42.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.859 0.362 . . . . 1.0 110.138 -179.875 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' N ' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -52.77 -64.13 0.92 Allowed 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.047 -0.524 . . . . 1.0 110.427 179.831 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.28 -56.78 11.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 1.0 110.634 179.977 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.472 ' O ' ' CD2' ' A' ' 41' ' ' LEU . 42.2 tp -49.66 -32.02 12.24 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.685 -0.406 . . . . 1.0 110.409 -179.747 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.598 HG12 ' O ' ' A' ' 38' ' ' VAL . 68.8 t -97.08 -4.14 9.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.859 0.362 . . . . 1.0 110.624 -179.429 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 35' ' ' TYR . 12.4 t80 -90.31 -41.74 11.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 1.0 110.672 -179.971 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 pp -71.05 -18.88 62.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.672 ' C ' HD12 ' A' ' 41' ' ' LEU . 4.0 pp -111.94 -9.97 13.99 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.352 -0.385 . . . . 1.0 110.325 179.674 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 42' ' ' GLY . . . . . 0.634 ' N ' HD12 ' A' ' 41' ' ' LEU . . . -108.06 2.25 33.43 Favored Glycine 0 CA--C 1.524 0.64 0 N-CA-C 110.98 -0.848 . . . . 1.0 110.98 179.994 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 1.7 m -130.89 6.31 4.64 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.625 0.25 . . . . 1.0 110.59 -179.923 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 45' ' ' GLY . 4.1 t -118.53 -38.06 3.2 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.138 -0.483 . . . . 1.0 110.522 -179.983 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.43 ' N ' ' CG2' ' A' ' 44' ' ' THR . . . -115.06 9.93 20.71 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 110.632 -0.987 . . . . 1.0 110.632 179.966 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -134.29 -50.64 0.81 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.8 0.333 . . . . 1.0 110.44 -179.966 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' O ' ' CB ' ' A' ' 51' ' ' TRP . . . -59.38 -50.41 68.03 Favored Glycine 0 CA--C 1.523 0.562 0 N-CA-C 110.902 -0.879 . . . . 1.0 110.902 179.962 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 39.9 tp -48.82 -52.11 25.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.343 . . . . 1.0 110.344 179.995 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG12 ' N ' ' A' ' 50' ' ' LEU . 7.5 t -60.55 -68.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 1.0 110.499 179.929 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.472 ' N ' HG12 ' A' ' 49' ' ' VAL . 84.1 mt -49.19 -22.27 0.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 1.0 110.453 179.86 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 51' ' ' TRP . . . . . 0.407 ' CB ' ' O ' ' A' ' 47' ' ' GLY . 73.8 t90 -84.49 -43.99 14.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.086 -0.506 . . . . 1.0 110.475 179.855 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 15.5 m -67.98 -43.38 79.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 1.0 110.389 179.908 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.461 ' C ' ' N ' ' A' ' 55' ' ' ARG . 54.2 t -64.59 -50.81 74.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 1.0 110.57 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' A' ' 50' ' ' LEU . 3.4 m-85 -48.88 -13.26 0.05 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.235 -0.439 . . . . 1.0 110.461 179.883 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.461 ' N ' ' C ' ' A' ' 53' ' ' VAL . 8.6 mtp85 -103.05 -22.06 13.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.147 -0.478 . . . . 1.0 110.666 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 53' ' ' VAL . 8.2 ptmt -94.44 -28.71 15.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.387 -0.37 . . . . 1.0 110.441 -179.976 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -101.42 -12.09 18.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.219 -0.446 . . . . 1.0 110.461 -179.999 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -84.35 -33.51 19.72 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 110.919 -0.872 . . . . 1.0 110.919 -179.994 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -58.25 -10.25 1.9 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.864 0.364 . . . . 1.0 110.623 -179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 60' ' ' HIS . . . . . . . . . . . . . 17.0 t-160 -144.29 92.26 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 1.0 110.543 179.93 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 61' ' ' HIS . . . . . 0.516 ' O ' ' CD2' ' A' ' 61' ' ' HIS . 85.3 t60 -99.4 55.7 0.99 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.11 -0.495 . . . . 1.0 110.568 179.988 . . . . . . . . 2 2 . 1 . 040 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.605 ' ND1' ' N ' ' A' ' 62' ' ' HIS . 0.5 OUTLIER 59.62 117.48 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.281 -0.418 . . . . 1.0 110.613 -180.0 . . . . . . . . 3 3 . 1 . 040 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 1.7 t60 49.45 40.71 19.57 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 1.0 110.35 179.991 . . . . . . . . 1 1 . 1 . 040 nuclear nobuild full ' A' A ' 64' ' ' HIS . . . . . . . . . . . . . 2.5 t60 . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 118.052 -0.975 . . . . 1.0 110.599 -179.924 . . . . . . . . 0 0 . 1 stop_ save_